UCSF

ZINC22028586

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 12 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) -0.32 3.24 -34.38 2 3 1 34 169.248 3
Hi High (pH 8-9.5) -0.32 1.02 -6.47 1 3 0 32 168.24 3
Hi High (pH 8-9.5) -0.32 2.44 -41.94 2 3 1 37 169.248 3

Vendor Notes

Note Type Comments Provided By
MP 216 - 218 Enamine Building Blocks
MP 216...218 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.