UCSF

ZINC16051356

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2008 9 Yes

Popular Name: 2,3,3a,4,7,7a-hexahydro-1H-isoindole 2,3,3a,4,7,7a-hexahydro-1H-isoin…

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CAS Numbers: 10533-30-9 , 2144-87-8 , N/A , [10533-30-9]

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) 1.62 3.88 -37.33 2 1 1 17 124.207 0 ↓

Vendor Notes

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

Activity (Go SEA)

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