UCSF

ZINC95929249

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2014 0 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) -2.64 -9.2 -12.69 5 6 0 118 180.156 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 163-165? Alfa-Aesar
Melting_Point 163-165° Alfa-Aesar
Patent Database Links EP1844784; US2003008833 ChEBI

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

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