UCSF

ZINC00168325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

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) 2.58 1.7 -7.51 0 3 0 35 220.659 2

Vendor Notes

Note Type Comments Provided By
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
melting_point 62 - 64 KeyOrganics
MP 62-64° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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