| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 25 | No |
Popular Name: (5S)-3-butyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol (5S)-3-butyl-9-methylsulfanyl-5-…
| 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) | 4.56 | 8.9 | -45.55 | 3 | 3 | 1 | 45 | 358.527 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.56 | 7 | -6.06 | 2 | 3 | 0 | 44 | 357.519 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.56 | 9.81 | -63.46 | 2 | 3 | 0 | 48 | 357.519 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
