UCSF

ZINC55150827

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 Yes

Popular Name: (1S,4R,5S,6S)-6-[[5-chloro-2-(methylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-[[5-chloro-2-(me…

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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) 2.15 6.62 -55.02 2 6 -1 98 347.778 4 ↓
Lo Low (pH 4.5-6) 2.15 4.66 -12.09 3 6 0 95 348.786 4 ↓

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Rings

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

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