UCSF

ZINC03995901

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 39 No

Popular Name: 7-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridyl]azo]-3-nitro-naphthalene-1,5-disulf 7-[[4-formyl-5-hydroxy-6-methyl-…

Find On: PubMed — Wikipedia — Google

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) -3.32 -0.54 -305.35 1 18 -4 308 602.408 9 ↓
Hi High (pH 8-9.5) -3.32 0.45 -400.52 0 18 -5 310 601.4 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2RX1-1-E P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RX1_RAT P47824 P2X Purinoceptor 1, Rat 14 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Elevation of cytosolic Ca2+ levels
Platelet homeostasis

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

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