UCSF

ZINC06741210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 14 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) 0.67 -1.47 -11.55 2 5 0 79 217.246 3

Vendor Notes

Note Type Comments Provided By
MP 166 - 168 Enamine Building Blocks
MP 166-167° Matrix Scientific
Melting_Point 166-170? Alfa-Aesar
Melting_Point 166-170° Alfa-Aesar
MP 166...168 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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