UCSF

ZINC14511477

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 11 No

Popular Name: (4R)-4-hydroxy-3,5,5-trimethyl-cyclohex-2-en-1-one (4R)-4-hydroxy-3,5,5-trimethyl-c…

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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) 1.19 2.21 -7.04 1 2 0 37 154.209 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0330745A2; US3937228; US3957061; US3981311; US3983885; US3989857; US4014350; US4029106; US4029107; US4029108; US4031902; US4092361; US4092989; US4898984 IBM Patent Data

Activity (Go SEA)

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