| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 33 | No |
Popular Name: (9aS)-1-(1,3-benzodioxol-5-yl)-N-(2-morpholinoethyl)-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) | 2.74 | 4.43 | -37.88 | 2 | 8 | 1 | 86 | 445.499 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 6.69 | -84.63 | 3 | 8 | 2 | 88 | 446.507 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.74 | 7.07 | -175 | 4 | 8 | 3 | 89 | 447.515 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
