UCSF

ZINC00168478

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 2.68 -2.77 -7.93 3 3 0 59 220.297 1
Lo Low (pH 4.5-6) 2.68 -2.64 -31.62 4 3 1 60 221.305 1

Vendor Notes

Note Type Comments Provided By
melting_point 126 - 130 KeyOrganics
MP 126-130° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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