In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 19 | Yes |
Popular Name: 6-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]-2H-1,2,4-triazine-3,5-dione 6-[[(1S,5R)-8-methyl-8-azabicycl…
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) | -0.05 | 1.82 | -39.36 | 4 | 7 | 1 | 95 | 266.325 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.41 | 0.16 | -55.47 | 3 | 7 | 0 | 98 | 265.317 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.