UCSF

ZINC64548340

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[[2-(4-bromophenyl)ethylamino]methyl]-6-methoxy-2-(3-thienyl)quinolin-7-ol 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) 4.84 8.54 -10.84 2 4 0 54 469.404 7 ↓
Mid Mid (pH 6-8) 4.84 9.76 -66.11 3 4 1 59 470.412 7 ↓

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

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