| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: 1-[(2R)-2-cyano-2-cyclopropyl-2-(propylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2R)-2-cyano-2-cyclopropyl-2-…
| 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) | 0.70 | 5.61 | -14.99 | 1 | 6 | 0 | 90 | 244.302 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 6.85 | -60.69 | 2 | 6 | 1 | 95 | 245.31 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
