UCSF

ZINC02585582

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 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) 2.79 -0.74 -10.93 0 2 0 29 207.66 1

Vendor Notes

Note Type Comments Provided By
MP 123° Matrix Scientific
melting_point 124 - 126 KeyOrganics
MP 124-126° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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