In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2008 | 26 | Yes |
Popular Name: 3-[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic 3-[4-[(3,4-dichlorophenyl)methyl…
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) | 2.14 | 7.62 | -66.31 | 0 | 7 | -1 | 82 | 396.254 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 9.9 | -93.8 | 1 | 7 | 0 | 83 | 397.262 | 4 | ↓ |