In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 30 | Yes |
Popular Name: 2-(4-ethylsulfanylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)acetamide 2-(4-ethylsulfanylphenyl)-N-(4-m…
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 | 14.25 | -20.91 | 0 | 4 | 0 | 46 | 433.602 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.04 | 14.72 | -56.26 | 1 | 4 | 1 | 47 | 434.61 | 7 | ↓ |