UCSF

ZINC02384085

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 8 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) 2.35 0.03 -6.36 0 1 0 13 175.988 0

Vendor Notes

Note Type Comments Provided By
BP 162-164° Matrix Scientific
MP 30-32° Matrix Scientific
Melting_Point 30-34? Alfa-Aesar
Melting_Point 30-34° Alfa-Aesar
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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

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