UCSF

ZINC04264908

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 29 No

Popular Name: 4-(3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]p 4-(3,7-dihydroxy-10,13-dimethyl-…

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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) 3.15 6.44 -55.07 2 5 -1 98 405.555 4 ↓
Lo Low (pH 4.5-6) 3.15 4.46 -9.93 3 5 0 95 406.563 4 ↓

Vendor Notes

Note Type Comments Provided By
mp 105 - 107 MolMall (formerly Molecular Diversity Preservation International)
mp 219.5 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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