In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (2R,3aR,7aS)-N-(3-pyrrolidin-1-ylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-(3-pyrrolidin-1-y…
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) | 2.70 | 6.28 | -87.47 | 4 | 4 | 2 | 50 | 281.444 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 5.11 | -42.5 | 3 | 4 | 1 | 46 | 280.436 | 5 | ↓ |