In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2009 | 24 | Yes |
Popular Name: 2-(2,4-dimethoxyphenyl)-1-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]ethanone 2-(2,4-dimethoxyphenyl)-1-[(2R)-…
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) | 2.26 | 7.66 | -14.11 | 0 | 5 | 0 | 52 | 326.396 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.26 | 8.1 | -41.31 | 1 | 5 | 1 | 53 | 327.404 | 5 | ↓ |