In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 24 | Yes |
Popular Name: 1-methyl-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic 1-methyl-3-[4-[(1-methylpyrazol-…
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) | -0.77 | 4.41 | -67.51 | 0 | 9 | -1 | 99 | 331.356 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.77 | 6.69 | -87.95 | 1 | 9 | 0 | 101 | 332.364 | 4 | ↓ |