| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2011 | 21 | Yes |
Popular Name: (3S)-1-isobutyl-3-phenyl-2,3,4,5-tetrahydro-1,4-benzodiazepine (3S)-1-isobutyl-3-phenyl-2,3,4,5…
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) | 4.12 | 9.5 | -30.19 | 2 | 2 | 1 | 16 | 281.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 9.48 | -2.13 | 1 | 2 | 0 | 15 | 280.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 10.63 | -37.52 | 2 | 2 | 1 | 20 | 281.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
