UCSF

ZINC41585985

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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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) 4.65 9.59 -40.68 2 7 1 80 509.38 5 ↓
Hi High (pH 8-9.5) 4.65 10.02 -43.44 0 7 -1 82 507.364 5 ↓
Mid Mid (pH 6-8) 4.65 9.25 -15.82 1 7 0 79 508.372 5 ↓
Mid Mid (pH 6-8) 4.65 11.46 -55.19 2 7 1 80 509.38 5 ↓
Mid Mid (pH 6-8) 4.65 11.81 -111.76 3 7 2 81 510.388 5 ↓

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

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