UCSF

ZINC02022854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 18 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) 5.40 0.34 -1.88 2 1 0 26 245.41 5

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0064193A1; US4419264 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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