UCSF

ZINC08729840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 16 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) 3.53 2.27 -35.44 2 2 1 24 222.352 3

Vendor Notes

Note Type Comments Provided By
melting_point 4.600000000000000e+001 - 4.900000000000000e+001 KeyOrganics
melting_point 46 - 49 KeyOrganics
MP 46-49° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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