In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 20 | Yes |
Popular Name: 2,4-dimethyl-6-[(2-oxo-2-piperazin-1-yl-ethyl)amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[(2-oxo-2-piperaz…
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) | -2.45 | 0.97 | -55.71 | 3 | 9 | 1 | 106 | 283.312 | 3 | ↓ |
Mid Mid (pH 6-8) | -2.45 | -0.32 | -11.38 | 2 | 9 | 0 | 101 | 282.304 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.