In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 25 | No |
Popular Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-cyclohexyl-acetamide N-[5-(4-allyl-5-thioxo-1H-1,2,4-…
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) | 4.25 | 10.71 | -50.85 | 1 | 6 | -1 | 73 | 376.531 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.53 | 10.61 | -16.95 | 2 | 6 | 0 | 76 | 377.539 | 6 | ↓ |