In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 30 | Yes |
Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-(p-tolylsulfamoyl)benzamide N-(5-butyl-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) | 4.48 | 8.2 | -29.08 | 2 | 7 | 0 | 101 | 444.582 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.55 | 7.3 | -57.98 | 1 | 7 | -1 | 107 | 443.574 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.55 | 7.37 | -107.45 | 0 | 7 | -2 | 109 | 442.566 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.48 | 8.27 | -61.53 | 1 | 7 | -1 | 103 | 443.574 | 8 | ↓ |