UCSF

ZINC34560786

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 No

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) 3.53 7.6 -6.98 1 2 0 37 298.426 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0891188A1; WO1997036596A1 IBM Patent Data
PUBCHEM_PATENT_ID US5969168; US6057439; US6066627; US6117860 IBM Patent Data

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