UCSF

ZINC02583500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 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) 2.39 -0.12 -41.09 0 4 -1 69 216.998 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 66-69? Alfa-Aesar
Melting_Point 66-69° Alfa-Aesar
MP 68 TCI
MP 68-69° Matrix Scientific
MP 68-70° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific

Activity (Go SEA)

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