In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 20 | Yes |
Popular Name: 6-(5-bromothiophene-2-carbonyl)-1,4-dihydroquinoxaline-2,3-dione 6-(5-bromothiophene-2-carbonyl)-…
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) | 2.00 | 4.38 | -13.22 | 2 | 5 | 0 | 83 | 351.181 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 2.27 | -45.1 | 1 | 5 | -1 | 86 | 350.173 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.