UCSF

ZINC52886746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 15 Yes

Other Names:

MFCD16779000

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) 1.56 4.56 -7.65 1 3 0 46 265.11 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 93 - 95 Enamine Building Blocks
MP 93...95 Enamine Building Blocks
purity 95 Enamine Building Blocks

Activity (Go SEA)

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

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