UCSF

ZINC21985789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 2.45 4.31 -6.1 0 1 0 13 161.126 1

Vendor Notes

Note Type Comments Provided By
BP 174° Matrix Scientific
BP 79-81°/56mmHg Matrix Scientific
Purity 95% Matrix Scientific
Purity 98% Fluorochem
Warnings Flammable Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.