| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: (1S,2R,4S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methyl-cyclohexanecarbonitrile (1S,2R,4S)-2-(3,5-dihydro-2H-1,4…
| 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) | 3.17 | 7.17 | -9.37 | 0 | 3 | 0 | 36 | 270.376 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 8.93 | -42.84 | 1 | 3 | 1 | 37 | 271.384 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
