UCSF

ZINC22995828

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 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) 0.98 0.44 -8.28 1 4 0 44 268.382 5
Mid Mid (pH 6-8) 0.98 2.76 -34.24 2 4 1 45 269.39 5
Mid Mid (pH 6-8) 0.98 2.84 -34.25 2 4 1 45 269.39 5

Vendor Notes

Note Type Comments Provided By
Purity >95% 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.