In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 16 | Yes |
Popular Name: 6-[4-(hydroxymethyl)-1-piperidyl]-2H-1,2,4-triazine-3,5-dione 6-[4-(hydroxymethyl)-1-piperidyl…
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) | -0.84 | -1.91 | -6.48 | 3 | 7 | 0 | 102 | 226.236 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.39 | -3.6 | -38.23 | 2 | 7 | -1 | 105 | 225.228 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.