| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 23 | Yes |
Popular Name: 2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-ynyl-acetamide 2-[4-(6-methylpyridine-2-carbony…
| 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) | 0.19 | 7.22 | -43.31 | 2 | 6 | 1 | 67 | 315.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | 5.56 | -12.97 | 1 | 6 | 0 | 66 | 314.389 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
