| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 18 | Yes |
Popular Name: 4-[(3R)-azepan-3-yl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3R)-azepan-3-yl]-3,5-dihydro…
| 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) | 1.94 | 5.19 | -33.5 | 2 | 3 | 1 | 26 | 247.362 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 3.19 | -3.49 | 1 | 3 | 0 | 24 | 246.354 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 4.47 | -42.19 | 2 | 3 | 1 | 29 | 247.362 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 6.46 | -114.98 | 3 | 3 | 2 | 30 | 248.37 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
