In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2008 | 24 | Yes |
Popular Name: 3-[(3R)-1-[2-(2-pyridyl)acetyl]-3-piperidyl]-1-pyrrolidin-1-yl-propan-1-one 3-[(3R)-1-[2-(2-pyridyl)acetyl]-…
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) | 1.37 | 8.62 | -16.54 | 0 | 5 | 0 | 54 | 329.444 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 8.9 | -39.59 | 1 | 5 | 1 | 55 | 330.452 | 5 | ↓ |