In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 25 | Yes |
Popular Name: (4-fluorophenyl)-[(1S)-1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (4-fluorophenyl)-[(1S)-1-(4-pyri…
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) | 2.95 | 10.37 | -8.67 | 0 | 3 | 0 | 33 | 332.378 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.95 | 10.82 | -45.8 | 1 | 3 | 1 | 34 | 333.386 | 2 | ↓ |