UCSF

ZINC38791857

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 35 Yes

Popular Name: (5Z,7E)-(1S,3R)-26,27-diethyl-20,21-methano-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol (5Z,7E)-(1S,3R)-26,27-diethyl-20…

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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) 6.32 8.63 -6.62 3 4 0 70 486.737 10 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0647219B1; US5585368; US5700791 IBM Patent Data

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