In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2009 | 28 | Yes |
Popular Name: p-tolyl-[(3R)-3-[(2R)-2-(4-pyridyl)pyrrolidine-1-carbonyl]-1-piperidyl]methanone p-tolyl-[(3R)-3-[(2R)-2-(4-pyrid…
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) | 2.17 | 10.46 | -12.45 | 0 | 5 | 0 | 54 | 377.488 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.17 | 10.92 | -37.28 | 1 | 5 | 1 | 55 | 378.496 | 3 | ↓ |