| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 19 | Yes |
Popular Name: 3-[(1S)-1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzonitrile 3-[(1S)-1-[(1,3,5-trimethylpyraz…
| 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) | 2.30 | 7.1 | -10.25 | 1 | 4 | 0 | 54 | 254.337 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 7.22 | -32.79 | 2 | 4 | 1 | 55 | 255.345 | 3 | ↓ |
