UCSF

ZINC54766845

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 12 Yes

Other Names:

MFCD16864844

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) 0.26 4.82 -46 2 3 1 42 164.232 4
Hi High (pH 8-9.5) 0.26 3.46 -4.1 1 3 0 38 163.224 4

Vendor Notes

Note Type Comments Provided By
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.