| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 21 | Yes |
Popular Name: 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-fluoro-benzonitrile 3-(3,5-dihydro-2H-1,4-benzoxazep…
| 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) | 2.86 | 9.64 | -43.06 | 1 | 3 | 1 | 37 | 283.326 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 7.61 | -7.76 | 0 | 3 | 0 | 36 | 282.318 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
