UCSF

ZINC18551368

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2008 10 Yes

CAS Numbers: 15579-15-4 , [15579-15-4]

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) 1.12 0.34 -6.3 2 3 0 49 134.138 0
Ref Reference (pH 7) 1.12 0.36 -9.4 2 3 0 49 134.138 0

Vendor Notes

Note Type Comments Provided By
MP 184 - 186 Enamine Building Blocks
MP 184...186 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
PUBCHEM_PATENT_ID EP0966470A1; US3939084; US4168953; US4533731; US4723020; US4806423; US5453514; WO1998040386A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.