In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 25 | Yes |
Popular Name: N-(2-cyanoethyl)-N-methyl-6-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide N-(2-cyanoethyl)-N-methyl-6-[(2S…
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) | 0.32 | 8.86 | -16.07 | 0 | 6 | 0 | 73 | 335.411 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.32 | 9.3 | -54.48 | 1 | 6 | 1 | 74 | 336.419 | 5 | ↓ |