UCSF

ZINC09123669

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 35 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-5-(3,4-dichlorophenyl)-1-(3-dimethylaminopropyl)pyr 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) 5.83 13.72 -69.72 1 6 0 74 519.469 11 ↓
Mid Mid (pH 6-8) 5.25 14.05 -44.88 1 6 1 68 520.477 11 ↓
Mid Mid (pH 6-8) 6.28 14.03 -44.41 2 6 1 71 520.477 10 ↓

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