| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 33 | No |
Popular Name: (9aS)-1-(1,3-benzodioxol-5-yl)-N-(3-methoxyphenyl)-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) | 4.59 | 8.1 | -35.72 | 2 | 7 | 1 | 83 | 438.463 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.38 | 7.29 | -30.36 | 2 | 7 | 0 | 93 | 437.455 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.59 | 8.47 | -101.91 | 3 | 7 | 2 | 85 | 439.471 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
