| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 22 | Yes |
Popular Name: 3-[[(9aS)-1,3,4,9a-tetrahydropyrido[3,4-b]indol-2-yl]methyl]benzonitrile 3-[[(9aS)-1,3,4,9a-tetrahydropyr…
| 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) | 3.30 | 8.56 | -10.1 | 1 | 3 | 0 | 43 | 287.366 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 10.79 | -54.5 | 2 | 3 | 1 | 44 | 288.374 | 2 | ↓ |
