UCSF

ZINC43121559

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 26 Yes

Popular Name: 3-(4-(1h-tetrazol-5-yl)phenyl)-5-phenyl-1h-pyrrolo[2,3-b]pyridine 3-(4-(1h-tetrazol-5-yl)phenyl)-5…

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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) 4.35 9.3 -44.99 1 6 -1 81 337.366 3 ↓
Lo Low (pH 4.5-6) 4.35 9.3 -11.56 2 6 0 83 338.374 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SGK1-1-E Serine/threonine-protein Kinase Sgk1 (cluster #1 Of 2), Eukaryotic Eukaryotes 160 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SGK1_HUMAN O00141 Serine/threonine-protein Kinase Sgk1, Human 160 0.37 Binding ≤ 1μM
SGK1_HUMAN O00141 Serine/threonine-protein Kinase Sgk1, Human 160 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Stimuli-sensing channels

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

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