UCSF

ZINC72190682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 14 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) 2.90 4.42 -27.35 4 3 1 52 192.286 2

Vendor Notes

Note Type Comments Provided By
melting_point 183 - 187 KeyOrganics
MP 183-187° Matrix Scientific
Purity 97% Matrix Scientific
Purity >97% 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.