UCSF

ZINC18001625

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 11 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) -1.28 4.15 -61.85 3 4 1 58 153.209 3
Hi High (pH 8-9.5) -1.28 3.77 -9.83 2 4 0 57 152.201 3

Vendor Notes

Note Type Comments Provided By
MP 166 - 168 Enamine Building Blocks
MP 166...168 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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