| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 23 | Yes |
Popular Name: (1S,9aR)-1-(3,5-dimethoxyphenyl)-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole (1S,9aR)-1-(3,5-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) | 3.38 | 5.02 | -26.91 | 2 | 4 | 1 | 44 | 309.389 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 6.26 | -102.96 | 3 | 4 | 2 | 49 | 310.397 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
