In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 28 | Yes |
Popular Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide 2-[4-(4-tert-butylphenyl)sulfony…
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) | 2.74 | 4 | -23.47 | 1 | 8 | 0 | 96 | 423.564 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 3.29 | -47.76 | 0 | 8 | -1 | 102 | 422.556 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 5.56 | -47.72 | 1 | 8 | 0 | 103 | 423.564 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 6.16 | -61.37 | 2 | 8 | 1 | 97 | 424.572 | 6 | ↓ |