UCSF

ZINC15936795

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 Yes

Popular Name: 4-(3-butyl-6-isopropyl-7-oxo-8H-imidazo[5,4-g]quinoxalin-2-yl)benzonitrile 4-(3-butyl-6-isopropyl-7-oxo-8H-…

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Download: MOL2 SDF SMILES Flexibase

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) 4.83 10.47 -11.93 1 6 0 87 385.471 5 ↓
Lo Low (pH 4.5-6) 4.83 11 -42.86 2 6 1 89 386.479 5 ↓

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

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