| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 20 | Yes |
Popular Name: (2S,3aS,7aS)-N-[(1R)-1-(4-pyridyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-[(1R)-1-(4-pyridy…
| 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) | 2.66 | 5.42 | -41.14 | 3 | 4 | 1 | 59 | 274.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 4.15 | -9.73 | 2 | 4 | 0 | 54 | 273.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 5.88 | -88.51 | 4 | 4 | 2 | 60 | 275.396 | 3 | ↓ |
