In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 19 | Yes |
Popular Name: (2R,3aR,7aS)-N-(2-pyrrolidin-1-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-(2-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) | 2.42 | 5.53 | -90.39 | 4 | 4 | 2 | 50 | 267.417 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 3.08 | -42.46 | 3 | 4 | 1 | 56 | 266.409 | 4 | ↓ |