| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 35 | No |
Popular Name: (9aR)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(p-tolyl)-9aH-pyrido[3,4-b]indole-3-carboxamide (9aR)-N-[2-(3,4-dimethoxyphenyl)…
| 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) | 4.87 | 10.88 | -36.55 | 2 | 6 | 1 | 74 | 466.561 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.87 | 11.26 | -101.56 | 3 | 6 | 2 | 76 | 467.569 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
