UCSF

ZINC00170422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 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) 3.59 1.78 -52.06 0 3 -1 49 241.266 5

Vendor Notes

Note Type Comments Provided By
melting_point 5.700000000000000e+001 - 6.000000000000000e+001 KeyOrganics
melting_point 57 - 60 KeyOrganics
MP 58-60° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.