UCSF

ZINC60119405

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 32 Yes

Popular Name: (E,2R,3R)-3-[3-(4-chlorophenyl)propanoylamino]-2-phenyl-6-(3-pyridyl)hex-5-enoic (E,2R,3R)-3-[3-(4-chlorophenyl)p…

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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) 4.92 14.47 -59.03 1 5 -1 82 447.942 10 ↓
Lo Low (pH 4.5-6) 4.92 14.95 -75.38 2 5 0 83 448.95 10 ↓

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

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