In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 26 | Yes |
Popular Name: 2-(dimethylamino)-N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethyl]pyridine-3-carboxamide 2-(dimethylamino)-N-[(2S)-2-(4-f…
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) | 2.46 | 10.2 | -49.56 | 2 | 5 | 1 | 50 | 357.453 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.46 | 10.69 | -92.17 | 3 | 5 | 2 | 51 | 358.461 | 6 | ↓ |