UCSF

ZINC52508091

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 24 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) 5.16 12.66 -7.92 0 4 0 42 338.432 6

Vendor Notes

Note Type Comments Provided By
melting_point 1.550000000000000e+002 - 1.570000000000000e+002 KeyOrganics
melting_point 155 - 157 KeyOrganics
MP 155-157° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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