In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 25 | Yes |
Popular Name: 1-piperidyl-[6-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]-3-pyridyl]methanone 1-piperidyl-[6-[(2S)-2-(3-pyridy…
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) | 1.77 | 9.42 | -12.2 | 0 | 5 | 0 | 49 | 336.439 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 9.88 | -45.87 | 1 | 5 | 1 | 51 | 337.447 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 9.85 | -33.93 | 1 | 5 | 1 | 51 | 337.447 | 3 | ↓ |