UCSF

ZINC04804681

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 29 Yes

Popular Name: 8-beta-Podocarpane-delta(sup 13,alpha)-acetic acid, 3-beta-hydroxy-14-alpha-methyl-7-oxo-, 2-(dimethylamino)ethyl ester, hydrochloride, (E)-; Cassaine hydrochloride; LS-117893 8-beta-Podocarpane-delta(sup 13,…

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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) 3.75 2.2 -39.77 2 5 1 68 406.587 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1005324A1; US3932482; US3992437; WO1998056334A1; WO1998056348A1; WO2000047215A2 IBM Patent Data

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