In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 36 | Yes |
Popular Name: 2-[4-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]piperazin-1-yl]-1-(1-piperidyl)ethanone 2-[4-[1-benzyl-3-(p-tolyl)pyrazo…
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) | 3.15 | 12.29 | -21.94 | 0 | 7 | 0 | 62 | 485.632 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 14.43 | -62.85 | 1 | 7 | 1 | 63 | 486.64 | 6 | ↓ |