UCSF

ZINC05934784

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 11 Yes

Popular Name: Isochroman-1-one Isochroman-1-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4702-34-5 , [4702-34-5]

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) 1.76 1.34 -9.38 0 2 0 26 148.161 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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