| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2010 | 21 | Yes |
Popular Name: 7-[(S)-amino-(5-chloro-2-thienyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione 7-[(S)-amino-(5-chloro-2-thienyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.02 | 2.73 | -65.75 | 5 | 5 | 1 | 86 | 322.797 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 1.38 | -46.47 | 4 | 5 | -1 | 98 | 320.781 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 2.4 | -11.48 | 4 | 5 | 0 | 84 | 321.789 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
