UCSF

ZINC62957659

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 35 Yes

Popular Name: 8-[[benzyl(methyl)amino]methyl]-7-hydroxy-3-(3-methoxyphenoxy)-2-(trifluoromethyl)chromen-4-one 8-[[benzyl(methyl)amino]methyl]-…

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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) 5.76 9.46 -11.07 1 6 0 72 485.458 8 ↓
Hi High (pH 8-9.5) 5.76 10.03 -37.32 0 6 -1 75 484.45 8 ↓
Mid Mid (pH 6-8) 5.76 11.81 -51.63 2 6 1 73 486.466 8 ↓

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

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