In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 7th, 2006 | 21 | Yes |
Popular Name: 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-thiazol-2-yl-acetamide 2-[(5-butyl-4-ethyl-1,2,4-triazo…
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) | 2.33 | 8.34 | -16.79 | 1 | 6 | 0 | 73 | 325.463 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 7.1 | -47.66 | 0 | 6 | -1 | 79 | 324.455 | 8 | ↓ |