Molecule card · MolClass #9136
Zidovudine
Zidovudine: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- ZidovudineBlood Brain Barrier · compound_name
- MolClass ID
- 9136
- InChIKey
- Not recorded
- Canonical SMILES
- CC1[c+]N(C(=O)NC1(=O))C2CC(N=[N+]=N)C(CO)O2
- Standard InChI
- null
- Stored Murcko scaffold
- n1cc[cH+]n(c1)C2OCCC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.242 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.28
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Blood Brain Barrier
Dataset #7 · Zidovudine