UCSF

ZINC41585228

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Substance Information

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

Popular Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-phenylpiperazin-1-yl)methyl]chromen-4-one 7-hydroxy-3-(4-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) 4.84 8.32 -14.76 1 7 0 75 458.514 6 ↓
Hi High (pH 8-9.5) 4.84 9.1 -43.74 0 7 -1 78 457.506 6 ↓
Mid Mid (pH 6-8) 4.84 10.56 -56.02 2 7 1 77 459.522 6 ↓

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