| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 18 | Yes |
Popular Name: [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-(4-hydroxy-1-piperidyl)methanone [(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-…
| 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) | 1.26 | 2.72 | -40.95 | 3 | 4 | 1 | 57 | 253.366 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 1.54 | -12.66 | 2 | 4 | 0 | 53 | 252.358 | 1 | ↓ |
