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Analogs

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Popular Name: 2,3,5-tris(p-tolyl)tetrazoliumchloride 2,3,5-tris(p-tolyl)tetrazoliumch…

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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) 5.42 13.43 -7.42 1 4 0 39 342.446 3 ↓

Analogs

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Popular Name: 2,3-di(p-tolyl)-5-phenyltetrazoliumchloride 2,3-di(p-tolyl)-5-phenyltetrazol…

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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) 4.98 12.75 -7.66 1 4 0 39 328.419 3 ↓

Analogs

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Popular Name: 2,3-diphenyl-5-(p-tolyl)tetrazoliumchloride 2,3-diphenyl-5-(p-tolyl)tetrazol…

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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) 4.53 12.08 -7.56 1 4 0 39 314.392 3 ↓

Analogs

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Popular Name: 2,3-diphenyl-5-(4-methoxyphenyl)tetrazoliumchloride 2,3-diphenyl-5-(4-methoxyphenyl)…

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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) 4.13 10.71 -8.13 1 5 0 48 330.391 4 ↓

Parameters Provided:

ring.id = 76281
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 76281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=76281&filter.purchasability=annotated

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