| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (2R,4S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-ethyl-cyclohexanone (2R,4S)-2-(3,5-dihydro-2H-1,4-be…
| 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) | 3.26 | 9.88 | -39.48 | 1 | 3 | 1 | 31 | 288.411 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 8.08 | -6.7 | 0 | 3 | 0 | 30 | 287.403 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
