In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 31 | Yes |
Popular Name: N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(4-tosylpiperazin-1-yl)acetamide N-(5-phenyl-1,3,4-thiadiazol-2-y…
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) | 3.40 | 6.06 | -24.58 | 1 | 8 | 0 | 96 | 457.581 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 5.15 | -49.98 | 0 | 8 | -1 | 102 | 456.573 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 8.23 | -62.27 | 2 | 8 | 1 | 97 | 458.589 | 6 | ↓ |