In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 20 | Yes |
Popular Name: 2-[4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide 2-[4-(6-methylpyridine-3-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) | -1.38 | 3.12 | -44.07 | 3 | 6 | 1 | 81 | 277.348 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.38 | 1.51 | -13.95 | 2 | 6 | 0 | 80 | 276.34 | 3 | ↓ |