UCSF

ZINC05286337

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 13 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.63 5.85 -5.25 1 2 0 29 190.271 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5861359; WO1997005115A1 IBM Patent Data

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

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