In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 30 | Yes |
Popular Name: 6-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-7-methyl-1,4-dihydroquinoxaline-2,3-dione 6-[4-(2,5-dimethylphenyl)piperaz…
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) | 1.81 | 4.95 | -17.86 | 2 | 8 | 0 | 106 | 428.514 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 3.89 | -49.68 | 1 | 8 | -1 | 109 | 427.506 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 6.23 | -193.95 | 3 | 8 | 3 | 104 | 429.522 | 3 | ↓ |