UCSF

ZINC13739703

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 32 No

Popular Name: (1R,3aS,3bS,4S,5aR,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-6,9a,11a-trimethyl-4-propyl-2,3,3a,3b,4, (1R,3aS,3bS,4S,5aR,9aR,9bS,11aR)…

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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) 8.52 15.57 -5.5 0 2 0 20 443.76 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5693809 IBM Patent Data

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