| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: (2S)-3-[[(1R)-2-amino-1-(1-methylpyrazol-4-yl)ethyl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1R)-2-amino-1-(1-methy…
| 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) | -0.36 | 2.07 | -55.13 | 3 | 5 | 1 | 72 | 222.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.36 | 1.96 | -8.51 | 2 | 5 | 0 | 71 | 221.308 | 5 | ↓ |
