UCSF

ZINC09313112

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 37 No

Popular Name: 4-[(4-benzyloxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(4-hydroxyphenyl)-py 4-[(4-benzyloxy-3-methyl-phenyl)…

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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) 4.23 11.75 -84.77 2 7 0 94 500.595 10 ↓
Mid Mid (pH 6-8) 4.67 12.09 -51.14 3 7 1 92 501.603 9 ↓
Mid Mid (pH 6-8) 3.64 -0.15 -48.08 2 7 1 88 501.603 10 ↓

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