UCSF

ZINC13864603

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 31 No

Popular Name: 3-hydroxy-4-[(N'E)-N'-[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]hydrazino]naphthalene-1-sulfonic 3-hydroxy-4-[(N'E)-N'-[3-methyl-…

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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) 2.17 2.33 -53.79 2 9 -1 140 437.457 4 ↓
Hi High (pH 8-9.5) 2.17 1.8 -115.32 1 9 -2 143 436.449 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPOR-1-E Thrombopoietin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 2000 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Platelet Aggregation (Plug Formation)

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