UCSF

ZINC59110313

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 33 Yes

Popular Name: (8R)-8-(3-chloro-4-fluoro-phenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridyl]vinyl]-5,6 (8R)-8-(3-chloro-4-fluoro-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) 3.55 12.88 -16.52 0 7 0 71 464.932 5 ↓
Mid Mid (pH 6-8) 3.55 13.34 -36.49 1 7 1 72 465.94 5 ↓

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

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