| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 19 | No |
Popular Name: [(3R)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)tetrahydrothiopyran-3-yl]methanamine [(3R)-3-(3,5-dihydro-2H-1,4-benz…
| 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) | 1.40 | 4.34 | -45.55 | 3 | 3 | 1 | 40 | 279.429 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 3.98 | -3.58 | 2 | 3 | 0 | 38 | 278.421 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
