UCSF

ZINC39385902

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 26 No

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) 5.05 11.33 -13.19 1 3 0 54 348.442 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0038160A1; US4393075 IBM Patent Data

Activity (Go SEA)

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