UCSF

ZINC54668058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 16 Yes

Other Names:

MFCD16857950

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) 3.15 5.77 -27.6 4 3 1 56 222.356 2
Mid Mid (pH 6-8) 3.15 5.54 -5.01 3 3 0 55 221.348 2

Vendor Notes

Note Type Comments Provided By
MP 132 - 134 Enamine Building Blocks
MP 132...134 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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

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