UCSF

ZINC02565590

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Other Names:

MFCD00457279

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) 3.29 6.18 -0.91 0 0 0 0 122.211 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0723971A2; EP0739897A1; EP0842939A1; US5962359; US6114556 IBM Patent Data

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

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