In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 33 | Yes |
Popular Name: 1-[(2S)-2-[4-(2-naphthylmethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenyl-ethanone 1-[(2S)-2-[4-(2-naphthylmethyl)p…
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) | 3.68 | 13.19 | -20.95 | 0 | 5 | 0 | 44 | 441.575 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 15.4 | -61.67 | 1 | 5 | 1 | 45 | 442.583 | 5 | ↓ |