In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 26 | Yes |
Popular Name: (8R)-8-[4-(1,2,4-triazol-1-yl)phenyl]-1,5,7,8-tetrahydrooxazolo[4,5-g]quinoline-2,6-dione (8R)-8-[4-(1,2,4-triazol-1-yl)ph…
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) | 0.75 | 7.28 | -19.85 | 2 | 8 | 0 | 106 | 347.334 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 4.64 | -51.71 | 1 | 8 | -1 | 109 | 346.326 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.