UCSF

ZINC52507966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 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) 2.34 4.93 -49.24 0 5 -1 75 229.215 3

Vendor Notes

Note Type Comments Provided By
melting_point 1.530000000000000e+002 - 1.550000000000000e+002 KeyOrganics
melting_point 153 - 155 KeyOrganics
MP 153-155° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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