In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2006 | 23 | Yes |
Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(5-ethyl-1,3,4-thiadiazol-2-yl…
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) | 2.23 | 6.73 | -28.7 | 2 | 7 | 0 | 96 | 346.441 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 6.58 | -55.72 | 1 | 7 | -1 | 95 | 345.433 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 5.66 | -46.45 | 1 | 7 | -1 | 103 | 345.433 | 6 | ↓ |