In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2008 | 22 | Yes |
Popular Name: 1-(2,4-dihydroxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone 1-(2,4-dihydroxyphenyl)-2-[(6-me…
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) | 3.36 | 4.54 | -12.34 | 3 | 5 | 0 | 86 | 314.366 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.36 | 5.55 | -52.73 | 2 | 5 | -1 | 89 | 313.358 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.36 | 4.92 | -37.72 | 4 | 5 | 1 | 87 | 315.374 | 4 | ↓ |