In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2009 | 23 | No |
Popular Name: [4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitro-1H-pyrazol-3-yl)methanone [4-[(1-methylpyrazol-4-yl)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) | -0.45 | 4.08 | -20.45 | 1 | 10 | 0 | 116 | 319.325 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.45 | 3.91 | -36.79 | 0 | 10 | -1 | 114 | 318.317 | 4 | ↓ |