UCSF

ZINC02530754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) 4.26 0.27 -5.36 1 1 0 20 196.249 2

Vendor Notes

Note Type Comments Provided By
melting_point 1.440000000000000e+002 - 1.460000000000000e+002 KeyOrganics
melting_point 144 - 146 KeyOrganics
MP 144-146° Matrix Scientific
mp 147 MolMall (formerly Molecular Diversity Preservation International)
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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