In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 31 | Yes |
Popular Name: (4S)-4-[4-(2-naphthylmethyl)piperazine-1-carbonyl]-1-(2-thienylmethyl)pyrrolidin-2-one (4S)-4-[4-(2-naphthylmethyl)pipe…
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) | 3.29 | 10.73 | -15.56 | 0 | 5 | 0 | 44 | 433.577 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 12.95 | -60.48 | 1 | 5 | 1 | 45 | 434.585 | 5 | ↓ |