UCSF

ZINC01496896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 16 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) 2.37 7.58 -10.53 0 4 0 44 218.256 3
Lo Low (pH 4.5-6) 2.37 8.04 -27.44 1 4 1 45 219.264 3

Vendor Notes

Note Type Comments Provided By
MP 79-82° Matrix Scientific
melting_point 80 - 82 KeyOrganics
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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