UCSF

ZINC02386261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 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) 2.93 2.65 -12.48 0 2 0 30 190.242 2

Vendor Notes

Note Type Comments Provided By
Therapy antispasmodic, smooth muscle relaxant SMDC MicroSource
Target Glutamate [NMDA] receptor subunit zeta-1(Q05586)&Dual oxidase 2(Q9NRD8)&ATP-binding cassette sub-family G member 2(Q9UNQ0)&Angiotensin-converting enzyme(P12821)&Caspase-3(P42574)&C-C motif chemokine 2(P13500)&Tumor necrosis factor(P01375)&Interleukin-1 al Herbal Ingredients Targets

Activity (Go SEA)

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

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