In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 23 | Yes |
Popular Name: 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[(3,4-difluorophenyl)methyl]-1-methyl-urea 3-(5-butyl-1,3,4-thiadiazol-2-yl…
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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) | 3.41 | 8.88 | -17.42 | 1 | 5 | 0 | 58 | 340.399 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 7.64 | -44.86 | 0 | 5 | -1 | 64 | 339.391 | 7 | ↓ |