| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 30 | No |
Popular Name: (9aS)-1-(2,5-dimethoxyphenyl)-N-[(1R)-1-methylpropyl]-9aH-pyrido[3,4-b]indole-3-carboxamide (9aS)-1-(2,5-dimethoxyphenyl)-N-…
| 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) | 4.22 | 7.41 | -28.25 | 2 | 6 | 1 | 74 | 404.49 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.22 | 7.83 | -84.7 | 3 | 6 | 2 | 76 | 405.498 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
