| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (1S,2R,4S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methyl-cyclohexanecarboxylic (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) | 2.63 | 9.49 | -31.88 | 1 | 4 | 0 | 54 | 289.375 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 6.34 | -53.82 | 0 | 4 | -1 | 53 | 288.367 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
