| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | No |
Popular Name: [4-(1,4-thiazepan-4-yl)tetrahydropyran-4-yl]methanamine [4-(1,4-thiazepan-4-yl)tetrahydr…
| 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) | 0.25 | 1.86 | -49.13 | 3 | 3 | 1 | 40 | 231.385 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.25 | 3.25 | -128.41 | 4 | 3 | 2 | 41 | 232.393 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
