In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2004 | 28 | Yes |
Popular Name: N-(1,3-benzothiazol-2-yl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide N-(1,3-benzothiazol-2-yl)-2-[(5-…
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) | 4.18 | 12.25 | -19.12 | 1 | 6 | 0 | 73 | 409.54 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 10.83 | -53.97 | 0 | 6 | -1 | 79 | 408.532 | 7 | ↓ |