UCSF

ZINC41585351

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

Popular Name: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one 8-[[4-(3-chlorophenyl)piperazin-…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 5.49 8.99 -14.25 1 6 0 66 476.96 5 ↓
Mid Mid (pH 6-8) 5.49 11.21 -52.8 2 6 1 67 477.968 5 ↓

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Rings

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

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