In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 18 | Yes |
Popular Name: 4-[[(1-ethyl-3-methyl-pyrazol-4-yl)amino]methyl]benzene-1,3-diol 4-[[(1-ethyl-3-methyl-pyrazol-4-…
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) | 1.61 | 0.65 | -13.6 | 3 | 5 | 0 | 70 | 247.298 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 1.43 | -45.69 | 2 | 5 | -1 | 73 | 246.29 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.61 | 0.77 | -33.37 | 4 | 5 | 1 | 72 | 248.306 | 4 | ↓ |