UCSF

ZINC00332644

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

CAS Numbers: 613-51-4 , [613-51-4]

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) 1.88 5.54 -10.09 0 4 0 59 174.159 1
Lo Low (pH 4.5-6) 1.88 5.82 -42.72 1 4 1 60 175.167 1

Vendor Notes

Note Type Comments Provided By
MP 128 - 130 Enamine Building Blocks
MP 128...130 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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