In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 25 | Yes |
Popular Name: (2S)-1-[(3R)-3-(2-fluorophenyl)-4-methyl-piperazin-1-yl]-2-methyl-3-phenyl-propan-1-one (2S)-1-[(3R)-3-(2-fluorophenyl)-…
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) | 3.80 | 10.25 | -8.77 | 0 | 3 | 0 | 24 | 340.442 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 11.82 | -51.55 | 1 | 3 | 1 | 25 | 341.45 | 4 | ↓ |