UCSF

ZINC09380213

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 38 No

Popular Name: 4-(4-benzyloxy-2-methyl-benzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-methoxypropyl)-5H-pyr 4-(4-benzyloxy-2-methyl-benzoyl)…

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Download: MOL2 SDF SMILES Flexibase

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) 4.00 9.5 -46.85 1 8 -1 108 516.57 11 ↓
Mid Mid (pH 6-8) 4.45 9.09 -19.64 2 8 0 106 517.578 10 ↓
Mid Mid (pH 6-8) 3.42 -1.3 -17.18 1 8 0 102 517.578 11 ↓

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