UCSF

ZINC09178009

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 37 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(4-tert-butylphenyl)-py 4-[(4-butoxy-3-methyl-phenyl)-hy…

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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) 6.26 15.52 -78.07 1 6 0 74 506.687 12 ↓
Mid Mid (pH 6-8) 6.26 15.02 -45.39 2 6 1 71 507.695 12 ↓
Mid Mid (pH 6-8) 5.67 2.81 -46.47 1 6 1 68 507.695 12 ↓

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