In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2009 | 25 | Yes |
Popular Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone 1-(3,4-dihydro-1H-isoquinolin-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) | 3.23 | 12.1 | -44.16 | 1 | 3 | 1 | 25 | 339.434 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 10.39 | -10.56 | 0 | 3 | 0 | 24 | 338.426 | 3 | ↓ |