UCSF

ZINC08730227

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 16 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) 1.97 2.78 -8.57 1 3 0 41 219.284 3

Vendor Notes

Note Type Comments Provided By
melting_point 135 - 137 KeyOrganics
MP 135-137° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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