In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 29 | Yes |
Popular Name: 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide 2-[4-(cyclohexanecarbonyl)pipera…
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) | 3.65 | 7.81 | -20.04 | 1 | 7 | 0 | 78 | 413.547 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.47 | 6.48 | -49.92 | 0 | 7 | -1 | 85 | 412.539 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.65 | 9.88 | -71.17 | 2 | 7 | 1 | 80 | 414.555 | 5 | ↓ |