UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37841799
37841799
52214000
52214000

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Popular Name: N-cyclopentyl-1H-indole-4-carboxamide N-cyclopentyl-1H-indole-4-carbox…

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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 5.79 -12.23 2 3 0 45 228.295 2 ↓

Analogs

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Popular Name: 1-(1H-indole-4-carbonylamino)cyclopentanecarboxylic 1-(1H-indole-4-carbonylamino)cyc…

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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) 0.04 6.81 -68.09 2 5 -1 85 271.296 3 ↓

Analogs

58396899
58396899
36164147
36164147
36164149
36164149
36166515
36166515

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-1H-indole-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-cyclop…

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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) 1.21 4.28 -18.44 3 5 0 79 285.347 4 ↓

Analogs

48968738
48968738
36164468
36164468
36164466
36164466
36165552
36165552
36165510
36165510

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Popular Name: N-allyl-N-cyclopentyl-1H-indole-4-carboxamide N-allyl-N-cyclopentyl-1H-indole-…

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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) 3.12 8.7 -10.4 1 3 0 36 268.36 4 ↓

Parameters Provided:

ring.id = 81643
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 = 81643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=81643&filter.purchasability=annotated

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