UCSF

ZINC20247129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 1.35 7.76 -31.69 1 3 1 25 225.356 2
Hi High (pH 8-9.5) 1.35 6.03 -3.91 0 3 0 24 224.348 2

Vendor Notes

Note Type Comments Provided By
BP 112°/0.2mm Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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