In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: 2-[1-[[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]methyl]cyclohexyl]acetic 2-[1-[[(3,5-dioxo-2H-1,2,4-triaz…
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) | 0.27 | 2.22 | -44.79 | 3 | 8 | -1 | 131 | 281.292 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.73 | 0.56 | -87.93 | 2 | 8 | -2 | 134 | 280.284 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.27 | 0.24 | -8.95 | 4 | 8 | 0 | 128 | 282.3 | 5 | ↓ |