| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2013 | 18 | Yes |
Popular Name: (S)-(5-amino-1H-pyrazol-4-yl)-(4-isopropoxyphenyl)methanol (S)-(5-amino-1H-pyrazol-4-yl)-(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) | 1.57 | 2.05 | -8.95 | 4 | 5 | 0 | 84 | 247.298 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 2.06 | -10.07 | 4 | 5 | 0 | 84 | 247.298 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 2.2 | -37.81 | 5 | 5 | 1 | 85 | 248.306 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.