UCSF

ZINC97971032

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2014 43 No

Popular Name: (4E,5R)-4-[(4-benzyloxy-3-methyl-phenyl)-hydroxy-methylene]-5-(4-tert-butylphenyl)-1-(3-morpholinopr (4E,5R)-4-[(4-benzyloxy-3-methyl…

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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 13.69 -62.13 0 7 -1 82 581.733 11 ↓
Mid Mid (pH 6-8) 6.26 15.95 -75.22 1 7 0 83 582.741 11 ↓

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

No pre-computed analogs available. Try a structural similarity search.