| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 15 | No |
Popular Name: [5-(1,4-thiazepan-4-ylmethyl)isoxazol-3-yl]methanamine [5-(1,4-thiazepan-4-ylmethyl)iso…
| 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) | 0.55 | 3.95 | -105.12 | 4 | 4 | 2 | 58 | 229.349 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 3.55 | -44.02 | 3 | 4 | 1 | 56 | 228.341 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
