| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-(3,5-dimeth…
| 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) | 0.81 | 5.49 | -16.01 | 1 | 5 | 0 | 67 | 247.346 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 6.34 | -41.73 | 2 | 5 | 1 | 71 | 248.354 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
