In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 22 | Yes |
Popular Name: 3-(2-amino-4-bromo-phenyl)-6-(4-fluorophenyl)-2H-1,2,4-triazin-5-one 3-(2-amino-4-bromo-phenyl)-6-(4-…
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) | 3.77 | 3.54 | -38.37 | 2 | 5 | -1 | 88 | 360.166 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 5.92 | -10.73 | 3 | 5 | 0 | 85 | 361.174 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.