In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 26 | Yes |
Popular Name: N-(3,3-dimethylbutyl)-6-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide N-(3,3-dimethylbutyl)-6-[(2S)-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) | 3.06 | 9.04 | -11.84 | 1 | 5 | 0 | 58 | 352.482 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 9.47 | -41.86 | 2 | 5 | 1 | 59 | 353.49 | 6 | ↓ |