| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: (1R,2S,4S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-methyl-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) | 2.76 | 6.65 | -34.75 | 2 | 3 | 1 | 34 | 276.4 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 4.88 | -4.78 | 1 | 3 | 0 | 33 | 275.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
