In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 28 | No |
Popular Name: (3S)-1-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (3S)-1-(2-ethylphenyl)-3-[4-(2-f…
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) | 2.94 | 10.12 | -11.59 | 0 | 5 | 0 | 44 | 381.451 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 12.27 | -47.2 | 1 | 5 | 1 | 45 | 382.459 | 4 | ↓ |