| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2014 | 17 | Yes |
Popular Name: (3aS,7aS)-1-benzyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-5-one (3aS,7aS)-1-benzyl-3,3a,4,6,7,7a…
| 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) | 1.36 | 6 | -46.82 | 2 | 3 | 1 | 34 | 231.319 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 3.88 | -7.14 | 1 | 3 | 0 | 32 | 230.311 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.