UCSF

ZINC12359489

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 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) 3.50 -0.88 -4.22 0 1 0 13 226.888 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 68-71? Alfa-Aesar
MP 68-71° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT, TOXIC BY INHALATION Matrix Scientific
Warnings Toxic Matrix Scientific

Activity (Go SEA)

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

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