| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 24 | No |
Popular Name: (5S)-3-allyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol (5S)-3-allyl-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) | 3.77 | 7.85 | -38.14 | 3 | 3 | 1 | 45 | 342.484 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 7.5 | -5.6 | 2 | 3 | 0 | 44 | 341.476 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
