UCSF

ZINC40566714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 14 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) -0.14 2.68 -17.87 3 5 0 73 190.206 1
Lo Low (pH 4.5-6) -0.14 3.17 -41.53 4 5 1 74 191.214 1

Vendor Notes

Note Type Comments Provided By
melting_point 250 - 252 KeyOrganics
MP 250-252° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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