UCSF

ZINC41584980

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 5.25 10.98 -51.74 2 6 1 67 522.419 6 ↓
Mid Mid (pH 6-8) 5.25 11.01 -54.18 2 6 1 67 522.419 6 ↓
Mid Mid (pH 6-8) 5.25 8.73 -12.25 1 6 0 66 521.411 6 ↓

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

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