| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 4,6-dimethyl-2-(1,4-thiazepan-4-yl)pyridine-3-carbothioamide 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) | 2.37 | 7.61 | -37.65 | 3 | 3 | 1 | 43 | 282.458 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 7.21 | -11.47 | 2 | 3 | 0 | 42 | 281.45 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
