| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (1R,2S,4S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-ethyl-cyclohexanol (1R,2S,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) | 3.44 | 7.33 | -39.04 | 2 | 3 | 1 | 34 | 290.427 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 5.53 | -4.52 | 1 | 3 | 0 | 33 | 289.419 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
