In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 31 | Yes |
Popular Name: N-[5-[(E)-cinnamyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide N-[5-[(E)-cinnamyl]sulfanyl-1,3,…
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) | 7.12 | 13.85 | -14.54 | 1 | 5 | 0 | 64 | 453.633 | 12 | ↓ |
Hi High (pH 8-9.5) | 7.19 | 12.18 | -47.69 | 0 | 5 | -1 | 70 | 452.625 | 12 | ↓ |