| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 29 | No |
Popular Name: (9aR)-1-(1,3-benzodioxol-5-yl)-N-butyl-9aH-pyrido[3,4-b]indole-3-carboxamide (9aR)-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) | 4.30 | 7.46 | -32.16 | 2 | 6 | 1 | 74 | 388.447 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.30 | 7.84 | -96.86 | 3 | 6 | 2 | 76 | 389.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
