UCSF

ZINC26841672

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 37 No

Popular Name: (5S)-4-(4-butoxy-2-methyl-benzoyl)-1-(3-dimethylaminopropyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy (5S)-4-(4-butoxy-2-methyl-benzoy…

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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) 4.26 11.03 -59.2 2 8 0 104 510.631 13 ↓
Lo Low (pH 4.5-6) 4.26 10.21 -44.82 3 8 1 101 511.639 13 ↓

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