UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39261253
39261253

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Popular Name: N-cyclopentyl-N-(2-dimethylaminoethyl)-2-(1-ethylindol-3-yl)acetamide N-cyclopentyl-N-(2-dimethylamino…

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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) 3.49 2.77 -40.48 1 4 1 30 342.507 7 ↓

Analogs

387429
387429

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Popular Name: 1-[2-(1H-indol-3-yl)acetamido]cyclopentane-1-carboxylic acid 1-[2-(1H-indol-3-yl)acetamido]cy…

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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) 0.11 7.57 -61.02 2 5 -1 85 285.323 4 ↓

Analogs

35238978
35238978
28876232
28876232
35175485
35175485
17356733
17356733
30476362
30476362

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Popular Name: N-allyl-N-cyclopentyl-2-(1H-indol-3-yl)acetamide N-allyl-N-cyclopentyl-2-(1H-indo…

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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) 3.66 9.75 -10 1 3 0 36 282.387 5 ↓

Parameters Provided:

ring.id = 93664
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 = 93664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=93664&filter.purchasability=annotated

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