UCSF

ZINC33826687

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 18 Yes

Popular Name: Cyclopentanehexanoic acid, beta-hydroxy-beta,2,2,3-tetramethyl-, sodium salt; LS-58023; Sodium beta-hydroxy-beta,2,2,3-tetramethylcyclopentanehexanoate; beta-Hydroxy-beta,2,2,3-tetramethylcyclopentanehexanoic acid sodium salt; beta-Hydroxy-beta,2,2,3-tetr Cyclopentanehexanoic acid, beta-…

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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) 3.36 8.08 -40.73 1 3 -1 60 255.378 6 ↓
Lo Low (pH 4.5-6) 3.36 6.08 -4.71 2 3 0 58 256.386 6 ↓

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