UCSF

ZINC82193565

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2012 24 No

Other Names:

MFCD00053453

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) 4.47 9.01 -5.86 1 2 0 37 330.512 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0915702A2; US5859000; US5922701; US5977095; US6150348; WO1998005338A2 IBM Patent Data

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

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