In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2006 | 22 | Yes |
Popular Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-acetamide 2-[(5-methyl-1H-1,2,4-triazol-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) | 1.84 | 6.02 | -28.88 | 2 | 7 | 0 | 96 | 332.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 5.23 | -50.2 | 1 | 7 | -1 | 103 | 331.406 | 5 | ↓ |