UCSF

ZINC19994438

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 Yes

Popular Name: 2-amino-1-cyclohexyl-N-(2-morpholinoethyl)pyrrolo[4,5-b]quinoxaline-3-carboxamide 2-amino-1-cyclohexyl-N-(2-morpho…

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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) 2.83 5.38 -20.21 3 8 0 98 422.533 5 ↓
Mid Mid (pH 6-8) 2.83 5.76 -31.88 4 8 1 100 423.541 5 ↓
Lo Low (pH 4.5-6) 2.83 8.1 -90.87 5 8 2 101 424.549 5 ↓

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

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