UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37804654
37804654
37813443
37813443
37814296
37814296
37978596
37978596

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Popular Name: (2S)-N-cyclopentyl-2-[(1-methyl-4-piperidyl)amino]propanamide (2S)-N-cyclopentyl-2-[(1-methyl-…

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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) 1.35 4.71 -35.62 3 4 1 46 254.398 4 ↓
Mid Mid (pH 6-8) 1.35 3.38 -36.94 3 4 1 49 254.398 4 ↓

Analogs

37804654
37804654
37813443
37813443
37814296
37814296
37826964
37826964
37978596
37978596

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[(1-methyl-4-piperidyl)amino]propanamide (2R)-N-cyclopentyl-2-[(1-methyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.35 4.75 -39.14 3 4 1 46 254.398 4 ↓
Mid Mid (pH 6-8) 1.35 3.35 -36.99 3 4 1 49 254.398 4 ↓

Analogs

37804654
37804654
37824960
37824960
37826964
37826964
37827394
37827394
37978596
37978596

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Popular Name: N-cyclopentyl-2-[(1-methyl-4-piperidyl)amino]acetamide N-cyclopentyl-2-[(1-methyl-4-pip…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.52 5.21 -105.45 4 4 2 50 241.379 4 ↓
Hi High (pH 8-9.5) 1.52 4.03 -39.41 3 4 1 46 240.371 4 ↓
Mid Mid (pH 6-8) 1.52 2.83 -40.73 3 4 1 49 240.371 4 ↓

Parameters Provided:

ring.id = 553336
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 = 553336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=553336&filter.purchasability=annotated

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