UCSF
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Analogs

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Popular Name: 2-(2-cyclopentylbenzimidazol-1-yl)acetic 2-(2-cyclopentylbenzimidazol-1-y…

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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) 2.23 8.99 -48.51 0 4 -1 58 243.286 3 ↓
Mid Mid (pH 6-8) 2.23 9.61 -34.15 1 4 0 59 244.294 3 ↓

Analogs

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Popular Name: 2-cyclopentyl-1H-benzimidazole-5-carboxylic 2-cyclopentyl-1H-benzimidazole-5…

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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) 2.80 7.02 -48.4 1 4 -1 69 229.259 2 ↓
Mid Mid (pH 6-8) 2.80 7.45 -50.7 2 4 0 70 230.267 2 ↓

Analogs

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Popular Name: 2-cyclopentyl-1-methyl-benzimidazole-5-carboxylic 2-cyclopentyl-1-methyl-benzimida…

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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) 2.87 8.47 -57.48 0 4 -1 58 243.286 2 ↓
Mid Mid (pH 6-8) 2.87 9.07 -50.11 1 4 0 59 244.294 2 ↓

Parameters Provided:

ring.id = 124015
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 = 124015 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=124015&filter.purchasability=annotated

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