UCSF

ZINC39333167

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -1.50 -4.24 -50.47 6 10 -1 167 283.659 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4277602; US4317822 IBM Patent Data

Activity (Go SEA)

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