UCSF

ZINC04253977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 11 Yes

Popular Name: 5-Cyano-2,3-dihydrobenzo[b]furan 5-Cyano-2,3-dihydrobenzo[b]furan

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CAS Numbers: 84944-75-2 , [84944-75-2] , [849509-45-1]

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) 1.72 4.76 -5.74 0 2 0 33 145.161 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 64 - 66 Enamine Building Blocks
MP 68 - 70 Enamine Building Blocks
MP 68...70 Enamine Building Blocks
MP 70-71° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem

Activity (Go SEA)

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

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