In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2004 | 29 | Yes |
Popular Name: N-(1,3-benzothiazol-2-yl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide N-(1,3-benzothiazol-2-yl)-2-[[4-…
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) | 4.29 | 10.59 | -19.7 | 1 | 7 | 0 | 82 | 425.539 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.47 | 9.17 | -54.14 | 0 | 7 | -1 | 88 | 424.531 | 7 | ↓ |