| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | No |
Popular Name: 2-[4-(2-thioxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(2-thioxo-1H-pyridine-3-car…
| 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) | -0.76 | 3.06 | -63.87 | 3 | 6 | 0 | 81 | 294.38 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.76 | 1.4 | -62.47 | 2 | 6 | -1 | 80 | 293.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.48 | 3.48 | -51.36 | 4 | 6 | 1 | 84 | 295.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
