UCSF

ZINC19616068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 8 Yes

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) 0.64 1.54 -5.09 2 2 0 39 112.107 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 39-43? Alfa-Aesar
MP 39-43° Matrix Scientific
MP 41 - 45 Enamine Building Blocks
MP 41...45 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

Activity (Go SEA)

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