UCSF

ZINC14982289

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 10 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) 1.78 3.98 -3.98 0 4 0 59 202.995 1
Lo Low (pH 4.5-6) 1.78 4.26 -41.57 1 4 1 60 204.003 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 111-115? Alfa-Aesar
Melting_Point 111-115° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
MP 99 - 101 Enamine Building Blocks
MP 99...101 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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