UCSF

ZINC34437544

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 32 Yes

Popular Name: 4-[(4aR,8aS)-2-(4-hydroxy-3,5-dimethyl-phenyl)-5,5,8,8-tetramethyl-decalin-2-yl]-2,6-dimethyl-phenol 4-[(4aR,8aS)-2-(4-hydroxy-3,5-di…

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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) 8.57 11.93 -4.99 2 2 0 40 434.664 2 ↓
Hi High (pH 8-9.5) 8.57 12.69 -44.98 1 2 -1 43 433.656 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0480237B1; US5212280; US5276213 IBM Patent Data

Activity (Go SEA)

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