UCSF

ZINC62605445

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 11 Yes

CAS Numbers: 1339108-03-0 , 768-70-7

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) 1.63 5.4 -5.24 0 1 0 9 146.189 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 204-210? Alfa-Aesar
Boiling_Point 204-210° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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