UCSF

ZINC01689062

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 21 No

Popular Name: 2-Hydroxybenzo[a]carbazole-3-carboxylicacidsodiumsalt 2-Hydroxybenzo[a]carbazole-3-car…

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CAS Number: 116353-24-3

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) 4.51 -1.71 -53.93 2 4 -1 76 276.271 1 ↓

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 3400 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPOR_HUMAN P40238 Thrombopoietin Receptor, Human 3400 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Platelet Aggregation (Plug Formation)

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

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