UCSF

ZINC00948535

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 27 Yes

Popular Name: 2-amino-1-(3-chloro-4-methyl-phenyl)pyrrolo[2,3-b]quinoxaline-3-carboxylic-acid-ethyl-ester 2-amino-1-(3-chloro-4-methyl-phe…

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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) 4.60 10.55 -14.77 2 6 0 83 380.835 4 ↓
Mid Mid (pH 6-8) 4.60 10.93 -25.01 3 6 1 84 381.843 4 ↓

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

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