UCSF

ZINC41585224

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Substance Information

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

Popular Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 7-hydroxy-3-(2-methoxyphenoxy)-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) 4.60 8.85 -16.65 1 7 0 75 458.514 6 ↓
Hi High (pH 8-9.5) 4.60 9.61 -46.46 0 7 -1 78 457.506 6 ↓
Mid Mid (pH 6-8) 4.60 11.07 -56.56 2 7 1 77 459.522 6 ↓

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