| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 27th, 2011 | 25 | Yes |
Popular Name: (1S,3R,9aS)-1-(4-ethoxyphenyl)-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic (1S,3R,9aS)-1-(4-ethoxyphenyl)-2…
| 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) | 1.55 | 6.64 | -46.61 | 2 | 5 | 0 | 75 | 336.391 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 7.81 | -72.29 | 3 | 5 | 1 | 80 | 337.399 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
