In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 19 | Yes |
Popular Name: 4-fluoro-3-[(4-isopropylpiperazin-1-yl)methyl]benzonitrile 4-fluoro-3-[(4-isopropylpiperazi…
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) | 2.15 | 7.47 | -35.39 | 1 | 3 | 1 | 31 | 262.352 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 7.54 | -40.07 | 1 | 3 | 1 | 31 | 262.352 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 5.25 | -5.09 | 0 | 3 | 0 | 30 | 261.344 | 3 | ↓ |