In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2007 | 31 | Yes |
Popular Name: 1-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-[3-(trifluoromethyl)phenyl]-urea 1-[4-[(5-ethyl-1,3,4-thiadiazol-…
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) | 3.78 | -4.21 | -19.59 | 3 | 8 | 0 | 113 | 471.486 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.78 | -3.63 | -49.2 | 2 | 8 | -1 | 115 | 470.478 | 7 | ↓ |