UCSF

ZINC40564713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 12 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) 1.84 5.49 -7.12 0 2 0 37 178.622 1

Vendor Notes

Note Type Comments Provided By
melting_point 100 - 102 KeyOrganics
MP 100-102° Matrix Scientific
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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