In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 31 | No |
Popular Name: 4-[(6S)-3-(4-fluorophenyl)-2-oxo-6,7-dihydro-[1,2,4]triazino[2,3-c]quinazolin-6-yl]benzoic 4-[(6S)-3-(4-fluorophenyl)-2-oxo…
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) | 4.49 | 10.84 | -61.42 | 2 | 7 | 0 | 105 | 414.396 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.95 | 10.05 | -57.82 | 1 | 7 | -1 | 108 | 413.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.