In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2006 | 28 | Yes |
Popular Name: N-(4,6-dimethylbenzothiazol-2-yl)-2-[[5-(p-tolyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4,6-dimethylbenzothiazol-2-yl…
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) | 5.04 | 10.59 | -14.15 | 2 | 6 | 0 | 84 | 409.54 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.04 | 10.39 | -48.82 | 1 | 6 | -1 | 82 | 408.532 | 5 | ↓ |