UCSF

ZINC64548453

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 No

Popular Name: 3-[[2-(4-bromophenyl)ethylamino]methyl]-2-(3-thienyl)quinoline-6,7-diol 3-[[2-(4-bromophenyl)ethylamino]…

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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) 4.53 6.15 -11.52 3 4 0 65 455.377 6 ↓
Mid Mid (pH 6-8) 4.53 7.69 -66.36 4 4 1 70 456.385 6 ↓

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

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