| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 23 | Yes |
Popular Name: 7-(dimethylaminomethyl)-3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-ol 7-(dimethylaminomethyl)-3-(3,4,5…
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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) | 3.44 | 6.69 | -40.91 | 2 | 4 | 1 | 51 | 323.294 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 4.54 | -8.5 | 1 | 4 | 0 | 49 | 322.286 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 7.61 | -23.59 | 1 | 4 | 0 | 54 | 322.286 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
