UCSF
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Analogs

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Popular Name: 2-(3-fluorophenyl)-4-phenyl-1H-imidazole-5-thiol 2-(3-fluorophenyl)-4-phenyl-1H-i…

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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) 2.03 8.89 -12.05 2 2 0 26 271.34 2 ↓
Hi High (pH 8-9.5) 2.03 8.97 -15.14 2 2 0 26 271.34 2 ↓
Hi High (pH 8-9.5) 2.03 8.69 -17.63 1 2 0 24 270.332 2 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-5-phenyl-1H-imidazole-4-thiol 2-(4-bromophenyl)-5-phenyl-1H-im…

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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) 2.70 9.44 -10.62 2 2 0 26 332.246 2 ↓
Hi High (pH 8-9.5) 2.70 9.24 -14.63 1 2 0 24 331.238 2 ↓

Analogs

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Popular Name: 2,5-diphenyl-1H-imidazole-4-thiol 2,5-diphenyl-1H-imidazole-4-thiol

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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) 1.89 8.82 -11.17 2 2 0 26 253.35 2 ↓
Hi High (pH 8-9.5) 1.89 8.62 -15.25 1 2 0 24 252.342 2 ↓

Parameters Provided:

ring.id = 503028
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 = 503028 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=503028&filter.purchasability=annotated

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