| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (1R,2S,4R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N,4-dimethyl-cyclohexanamine (1R,2S,4R)-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 | 7.49 | -44.09 | 2 | 3 | 1 | 29 | 289.443 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 9.17 | -116.81 | 3 | 3 | 2 | 30 | 290.451 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
