UCSF

ZINC13282225

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 38 No

Popular Name: (4R,5R)-5-cyano-6-[2-[(4-ethoxyphenyl)amino]-2-oxo-ethyl]sulfanyl-2-methyl-N,4-diphenyl-4,5-dihydrop (4R,5R)-5-cyano-6-[2-[(4-ethoxyp…

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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) 5.49 12.61 -34.31 3 7 0 103 524.646 9 ↓
Mid Mid (pH 6-8) 6.01 11.49 -17.72 2 7 0 104 524.646 9 ↓
Mid Mid (pH 6-8) 5.83 12.07 -16.17 2 7 0 104 524.646 9 ↓

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

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