UCSF

ZINC08939671

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 7 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) 2.47 2.59 -4.08 0 1 0 13 154.021 0

Vendor Notes

Note Type Comments Provided By
BP 184 TCI
BP 184° Oakwood Chemical
MP 42 - 46 Enamine Building Blocks
MP 42-46° Oakwood Chemical
MP 43 - 45 Enamine Building Blocks
MP 43...45 Enamine Building Blocks
MP 44 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 96% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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