In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 31 | Yes |
Popular Name: (5S)-5-(4-cyclohexylpiperazine-1-carbonyl)-1-(3,4-dimethylphenyl)sulfonyl-pyrrolidin-2-one (5S)-5-(4-cyclohexylpiperazine-1…
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 | 8.1 | -26.76 | 0 | 7 | 0 | 78 | 447.601 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 10.28 | -69.87 | 1 | 7 | 1 | 79 | 448.609 | 4 | ↓ |