| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2011 | 22 | No |
Popular Name: (2R)-N-[(1R)-1-cyanobutyl]-2-[3-sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide (2R)-N-[(1R)-1-cyanobutyl]-2-[3-…
| 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) | 2.75 | 7.69 | -61.49 | 1 | 6 | -1 | 84 | 334.45 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 7.48 | -22.19 | 2 | 6 | 0 | 87 | 335.458 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
