UCSF

ZINC72482056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2012 13 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) 2.40 3.92 -27.32 4 3 1 52 178.259 2

Vendor Notes

Note Type Comments Provided By
melting_point 81 - 84 KeyOrganics
MP 81-84° 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.