UCSF

ZINC78176183

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2012 28 Yes

Popular Name: Methyl7-((1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)heptanoate Methyl7-((1R,2S,3R,5S)-5-acetoxy…

Find On: PubMed — Wikipedia — Google

CAS Number: 61302-47-4

Download: MOL2 SDF SMILES Flexibase

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) 3.57 8.75 -13.76 1 7 0 91 400.512 13 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4018812; US4064351; US4069387 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.