In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 27 | Yes |
Popular Name: N-(3-pyridylmethyl)-2-[(2R)-2-(4-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide N-(3-pyridylmethyl)-2-[(2R)-2-(4…
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) | 1.14 | 9.26 | -36.16 | 2 | 6 | 1 | 72 | 360.441 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.14 | 9.73 | -76.84 | 3 | 6 | 2 | 74 | 361.449 | 5 | ↓ |