| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: (2S)-3-[ethyl-[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]amino]-2-methyl-propanenitrile (2S)-3-[ethyl-[4-(hydroxymethyl)…
| 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) | 1.01 | 4.13 | -11.06 | 1 | 5 | 0 | 65 | 236.319 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 4.26 | -32.85 | 2 | 5 | 1 | 66 | 237.327 | 5 | ↓ |
