UCSF

ZINC00169727

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 4.53 1.67 -5.81 1 2 0 39 252.704 1

Vendor Notes

Note Type Comments Provided By
melting_point 213 - 215 KeyOrganics
MP 213-215° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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