UCSF

ZINC16124649

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 11 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) 0.30 3.33 -63.3 1 5 -1 73 150.117 1
Ref Reference (pH 7) 0.30 3.41 -40.79 1 5 -1 73 150.117 1
Mid Mid (pH 6-8) 0.30 2.79 -41.3 2 5 0 74 151.125 1

Vendor Notes

Note Type Comments Provided By
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.