UCSF

ZINC29786510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 10 No

CAS Number: 6297-53-6

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) -0.06 2.12 -5.14 2 3 0 52 163.242 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 72-75? Alfa-Aesar
Melting_Point 72-75° Alfa-Aesar
PUBCHEM_PATENT_ID EP0566157A1; US4801609; US5262436 IBM Patent Data

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

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