| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 22 | No |
Popular Name: (5R)-5-(3-hydroxyphenyl)-9-methylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (5R)-5-(3-hydroxyphenyl)-9-methy…
| 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) | 2.02 | 1.55 | -49.07 | 5 | 4 | 1 | 77 | 318.418 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 2.46 | -72.25 | 4 | 4 | 0 | 80 | 317.41 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
