UCSF

ZINC64540107

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 29 Yes

Popular Name: 3-[[2-(4-bromophenyl)ethylamino]methyl]-2-(3-thienyl)quinoline-7-carboxylic 3-[[2-(4-bromophenyl)ethylamino]…

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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) 5.41 11.58 -57.08 1 4 -1 65 466.38 7 ↓
Mid Mid (pH 6-8) 5.41 13.13 -104.85 2 4 0 70 467.388 7 ↓

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

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