In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 23 | Yes |
Popular Name: (4S)-4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrrolidin-2-one (4S)-4-[4-[(4-chlorophenyl)methy…
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) | 1.49 | 5.86 | -16.67 | 0 | 5 | 0 | 44 | 335.835 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 8.07 | -62.93 | 1 | 5 | 1 | 45 | 336.843 | 3 | ↓ |