| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 23 | No |
Popular Name: (5S)-6,9-bis(methylsulfanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (5S)-6,9-bis(methylsulfanyl)-5-p…
| 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) | 3.12 | 4.71 | -50.39 | 4 | 3 | 1 | 57 | 348.513 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 5.62 | -70.93 | 3 | 3 | 0 | 60 | 347.505 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 5.53 | -71.56 | 3 | 3 | 0 | 60 | 347.505 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
