In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 2nd, 2006 | 17 | No |
Popular Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanehydroxamic 4-(3,5-dimethyl-4-nitro-pyrazol-…
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) | 0.05 | 2.83 | -22.6 | 2 | 8 | 0 | 113 | 242.235 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.05 | 4.04 | -59.5 | 1 | 8 | -1 | 116 | 241.227 | 5 | ↓ |