In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 12th, 2004 | 34 | Yes |
Popular Name: N-cyclohexyl-2-[[4-methyl-5-[4-(tosylamino)phenyl]-1,2,4-triazol-3-yl]thio]acetamide N-cyclohexyl-2-[[4-methyl-5-[4-(…
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) | 4.72 | -5.03 | -17.27 | 2 | 8 | 0 | 105 | 499.662 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.72 | -4.45 | -46.83 | 1 | 8 | -1 | 108 | 498.654 | 8 | ↓ |