In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 27 | Yes |
Popular Name: 1-(4-fluorophenyl)-4-[(3S)-3-(2-fluorophenyl)-4-methyl-piperazin-1-yl]butane-1,4-dione 1-(4-fluorophenyl)-4-[(3S)-3-(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) | 3.11 | 9.53 | -10.92 | 0 | 4 | 0 | 41 | 372.415 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 11.46 | -47.7 | 1 | 4 | 1 | 42 | 373.423 | 5 | ↓ |