In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 30 | Yes |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-2…
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) | 2.32 | 9.24 | -13.07 | 1 | 7 | 0 | 77 | 402.454 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.32 | 9.71 | -35.55 | 2 | 7 | 1 | 78 | 403.462 | 5 | ↓ |