| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | No |
Popular Name: [4,6-dimethyl-2-(1,4-thiazepan-4-yl)-3-pyridyl]methanamine [4,6-dimethyl-2-(1,4-thiazepan-4…
| 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) | 1.75 | 6.54 | -101.85 | 4 | 3 | 2 | 45 | 253.415 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 6.17 | -49.77 | 3 | 3 | 1 | 44 | 252.407 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 6.13 | -24.68 | 3 | 3 | 1 | 43 | 252.407 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
