UCSF

ZINC05211336

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 12 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) 0.04 4.23 -12.28 1 5 0 59 163.184 2
Hi High (pH 8-9.5) 0.60 4.42 -10.41 1 8 0 101 404.732 6

Vendor Notes

Note Type Comments Provided By
melting_point 84 - 86 KeyOrganics
MP 84-86° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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