UCSF

ZINC62498332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 11 No

CAS Numbers: 20772-12-7 , 70-11-1

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) 2.02 6.57 -8.91 0 1 0 17 213.074 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 140?/11mm Alfa-Aesar
Boiling_Point 140°/11mm Alfa-Aesar
Melting_Point 48-51? Alfa-Aesar
Melting_Point 48-51° 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.