| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (2R)-3-[[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]-methyl-amino]-2-methyl-propanenitrile (2R)-3-[[4-(hydroxymethyl)-2,5-d…
| 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) | 0.63 | 3.55 | -34.28 | 2 | 5 | 1 | 66 | 223.3 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 3.42 | -11.67 | 1 | 5 | 0 | 65 | 222.292 | 4 | ↓ |
