In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2009 | 17 | Yes |
Popular Name: 6-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1R,2R,3R)-2,3-dimethylcyclo…
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) | 1.16 | 1.74 | -4.98 | 3 | 6 | 0 | 91 | 238.291 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 0.08 | -37.09 | 2 | 6 | -1 | 94 | 237.283 | 2 | ↓ |