UCSF

ZINC00156648

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 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) 1.28 -0.03 -9.65 2 3 0 60 191.639 1

Vendor Notes

Note Type Comments Provided By
MP 143-145° Matrix Scientific
Melting_Point 144-148? Alfa-Aesar
Melting_Point 144-148° Alfa-Aesar
MP 148-150° Oakwood Chemical
MP 149 - 151 Enamine Building Blocks
MP 149...151 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Purity >98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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