UCSF

ZINC52429214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 40 No

Popular Name: 2-Pyridinecarboxylic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-yl)-3-methyl-; 5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo(4,5-h)quinolin-8-y 2-Pyridinecarboxylic acid, 5-ami…

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Physical Representations

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 5.54 -105.21 6 12 1 184 546.56 6 ↓
Hi High (pH 8-9.5) 1.81 5.79 -65.33 6 12 1 184 546.56 6 ↓
Hi High (pH 8-9.5) 1.81 5.4 -67.05 5 12 0 183 545.552 6 ↓
Lo Low (pH 4.5-6) 1.81 5.96 -143.49 7 12 2 185 547.568 6 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.