UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-aminophenyl)-1-[(2R)-2-cyclohexylpyrrolidin-1-yl]ethanone 2-(3-aminophenyl)-1-[(2R)-2-cycl…

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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) 3.20 8.8 -10.12 2 3 0 46 286.419 3 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-1-[(2S)-2-cyclohexylpyrrolidin-1-yl]ethanone 2-(3-aminophenyl)-1-[(2S)-2-cycl…

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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) 3.20 8.75 -10.24 2 3 0 46 286.419 3 ↓

Analogs

37027250
37027250
37027249
37027249
37027248
37027248
37027247
37027247
22173385
22173385

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Popular Name: 2-(4-aminophenyl)-1-[(2R)-2-cyclohexylpyrrolidin-1-yl]ethanone 2-(4-aminophenyl)-1-[(2R)-2-cycl…

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) 3.22 8.82 -9.94 2 3 0 46 286.419 3 ↓

Analogs

37027250
37027250
37027249
37027249
37027248
37027248
37027247
37027247
22173385
22173385

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-1-[(2S)-2-cyclohexylpyrrolidin-1-yl]ethanone 2-(4-aminophenyl)-1-[(2S)-2-cycl…

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) 3.22 8.76 -10.08 2 3 0 46 286.419 3 ↓

Parameters Provided:

ring.id = 36103
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 = 36103 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=36103&filter.purchasability=annotated

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