| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 17 | Yes |
Popular Name: (3S)-3-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (3S)-3-phenyl-2,3,4,5-tetrahydro…
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) | 2.75 | 6.61 | -36.8 | 3 | 2 | 1 | 29 | 225.315 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 5.67 | -37.55 | 3 | 2 | 1 | 29 | 225.315 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 5.36 | -2.71 | 2 | 2 | 0 | 24 | 224.307 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
