In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 18 | Yes |
Popular Name: 2-[(1S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]benzene-1,4-diol 2-[(1S)-1-[(3,5-dimethyl-1H-pyra…
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) | 1.94 | -0.14 | -8.57 | 4 | 5 | 0 | 81 | 247.298 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.94 | 0 | -30.26 | 5 | 5 | 1 | 82 | 248.306 | 3 | ↓ |