UCSF

ZINC41585971

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

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

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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) 4.74 9.59 -40.12 2 6 1 71 493.381 4 ↓
Hi High (pH 8-9.5) 4.74 10.04 -43.79 0 6 -1 73 491.365 4 ↓
Mid Mid (pH 6-8) 4.74 9.27 -12.07 1 6 0 70 492.373 4 ↓
Mid Mid (pH 6-8) 4.74 11.52 -54.39 2 6 1 71 493.381 4 ↓
Mid Mid (pH 6-8) 4.74 11.83 -114.87 3 6 2 72 494.389 4 ↓

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

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