| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 26 | Yes |
Popular Name: 2-(3,7-Dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-benzoic acid 2-(3,7-Dihydroxy-dibenzo[b,f][1,…
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CAS Number: 13606-02-5
2-(3,7-Dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-
2-(3,7-dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-benzoicacid
| 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) | 3.67 | 4.8 | -62.51 | 2 | 6 | -1 | 107 | 346.318 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 5.56 | -130.48 | 1 | 6 | -2 | 109 | 345.31 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.67 | 5.12 | -45.89 | 3 | 6 | 0 | 108 | 347.326 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.