| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: [(2S,4R)-2-methyl-4-(1,4-oxazepan-4-yl)tetrahydropyran-4-yl]methanamine [(2S,4R)-2-methyl-4-(1,4-oxazepa…
| 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) | 0.07 | 0.9 | -49.44 | 3 | 4 | 1 | 49 | 229.344 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.07 | 0.85 | -3.12 | 2 | 4 | 0 | 48 | 228.336 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.07 | 2.21 | -123.48 | 4 | 4 | 2 | 51 | 230.352 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
