In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | Yes |
Popular Name: [6-hydroxy-3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-7-yl]methylBLAHone [6-hydroxy-3-(3,4,5-trifluorophe…
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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) | 3.97 | 8.6 | -12.81 | 1 | 6 | 0 | 72 | 467.447 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.97 | 9.37 | -51.97 | 0 | 6 | -1 | 74 | 466.439 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.