UCSF

ZINC55150986

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: (1S,4R,5S,6R)-6-[[3-chloro-4-(isobutylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxyl (1S,4R,5S,6R)-6-[[3-chloro-4-(is…

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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) 3.28 8.68 -62.46 2 6 -1 98 389.859 6 ↓
Lo Low (pH 4.5-6) 3.28 6.92 -24.27 3 6 0 95 390.867 6 ↓

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

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