| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: (3S)-1-methyl-3-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine (3S)-1-methyl-3-phenyl-2,3,4,5-t…
None
| 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) | 2.99 | 8.53 | -36.5 | 2 | 2 | 1 | 20 | 239.342 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 7.47 | -33.2 | 2 | 2 | 1 | 16 | 239.342 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 7.31 | -2.73 | 1 | 2 | 0 | 15 | 238.334 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
