In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 25 | Yes |
Popular Name: 3-[[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]methyl]-8-methyl-1H-quinolin-2-one 3-[[4-(2-methoxyacetyl)-1,4-diaz…
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 | 8.31 | -52.68 | 2 | 6 | 1 | 67 | 344.435 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 6.47 | -22.56 | 1 | 6 | 0 | 66 | 343.427 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.