UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39303464
39303464
39303466
39303466
6095769
6095769

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Popular Name: [(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-phenyl-methanone [(2S)-2-(morpholine-4-carbonyl)p…

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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) 0.49 6.38 -21 0 5 0 50 288.347 2 ↓

Analogs

34952618
34952618
34952619
34952619

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Popular Name: (4-bromophenyl)-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone (4-bromophenyl)-[(2S)-2-(morphol…

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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) 1.30 6.99 -19.03 0 5 0 50 367.243 2 ↓

Analogs

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Popular Name: (2-methyl-5-methylsulfanyl-phenyl)-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone (2-methyl-5-methylsulfanyl-pheny…

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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) 1.30 7.47 -18.12 0 5 0 50 348.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-5-methylsulfanyl-phenyl)-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone (2-methyl-5-methylsulfanyl-pheny…

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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) 1.30 8.03 -18.91 0 5 0 50 348.468 3 ↓

Analogs

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Popular Name: [(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone [(2R)-2-(morpholine-4-carbonyl)p…

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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) 1.40 6.72 -18.41 0 6 0 59 346.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone [(2S)-2-(morpholine-4-carbonyl)p…

Find On: PubMed — Wikipedia — Google

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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) 1.40 7.4 -19.03 0 6 0 59 346.427 5 ↓

Parameters Provided:

ring.id = 51842
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 = 51842 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=51842&filter.purchasability=annotated

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