UCSF

ZINC04226766

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 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) 0.95 4.64 -86.25 4 2 2 32 160.305 7

Vendor Notes

Note Type Comments Provided By
BP 205-208° Matrix Scientific
Purity 97% Matrix Scientific
Warnings CORROSIVE Matrix Scientific
Warnings Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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