UCSF

ZINC00158518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 10 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) 0.90 3.75 -51.13 0 3 -1 53 139.13 1

Vendor Notes

Note Type Comments Provided By
MP 135 - 137 Enamine Building Blocks
MP 135-136° Oakwood Chemical
MP 135...137 Enamine Building Blocks
MP 137 TCI
MP 137 - 140 Enamine Building Blocks
MP 146-147° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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