UCSF

ZINC12336803

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 20 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) 3.81 2.02 -8.88 1 2 0 29 279.261 5

Vendor Notes

Note Type Comments Provided By
melting_point 1.380000000000000e+002 - 1.400000000000000e+002 KeyOrganics
melting_point 138 - 140 KeyOrganics
MP 138-140° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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