UCSF

ZINC13142443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 13 Yes

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) 1.76 3.68 -9.65 1 3 0 38 172.187 0

Vendor Notes

Note Type Comments Provided By
melting_point 170 KeyOrganics
MP 170° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000029023A1 IBM Patent Data

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

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