UCSF

ZINC04261936

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) -1.01 -4.47 -23.59 4 3 1 65 228.3 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links CRAM_CRAAB; DEF1_HORVU; DEF1_MAIZE; DEF1_NICPA; DEF1_VIGUN; DEF1_WHEAT; DEF2_MAIZE; DEF2_VIGUN; DEF2_WHEAT; DEF_GYMCO; DEF_NELNU; DEF_PETIN; DEF_TOBAC; DFSD2_HELAN; THN1_VISAL; THN1_WHEAT; THN21_ARATH; THN22_ARATH; THN23_ARATH; THN24_ARATH; THN2_VISAL; TH ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100272-1-O Internal Ribosome Entry Site (IRES) (cluster #1 Of 1), Other Other 2860 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100272 Z100272 Internal Ribosome Entry Site (IRES) 2860 0.49 Binding ≤ 10μM

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

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