| 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-carboxamidine 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) | 0.95 | 5.29 | -35.44 | 4 | 4 | 1 | 68 | 265.406 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 5.68 | -29.38 | 4 | 4 | 1 | 67 | 265.406 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 5.29 | -5.43 | 3 | 4 | 0 | 66 | 264.398 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 5.69 | -90.46 | 5 | 4 | 2 | 69 | 266.414 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
