| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 31 | No |
Popular Name: (9aS)-1-(1,3-benzodioxol-5-yl)-N-(2-thienylmethyl)-9aH-pyrido[3,4-b]indole-3-carboxamide (9aS)-1-(1,3-benzodioxol-5-yl)-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) | 4.16 | 8.07 | -36.23 | 2 | 6 | 1 | 74 | 428.493 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.16 | 8.45 | -98.3 | 3 | 6 | 2 | 76 | 429.501 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
