| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 18 | Yes |
Popular Name: (2S,3aS,7aS)-2-[[(3R)-3-ethyl-1-piperidyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2S,3aS,7aS)-2-[[(3R)-3-ethyl-1-…
| 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) | 4.57 | 9.51 | -115.43 | 3 | 2 | 2 | 21 | 252.446 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 8.32 | -31.51 | 2 | 2 | 1 | 16 | 251.438 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 7.15 | -31.61 | 2 | 2 | 1 | 20 | 251.438 | 3 | ↓ |
