UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-N-(4-fluorophenyl)-N'-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(4-fluorophenyl)-N'-(2-ph…

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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) 4.79 -0.02 -17.4 2 5 0 61 403.457 4 ↓

Analogs

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Popular Name: (2S)-N-(4-fluorophenyl)-N'-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(4-fluorophenyl)-N'-(2-ph…

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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) 4.79 0.13 -17.81 2 5 0 61 403.457 4 ↓

Analogs

34968575
34968575
34968576
34968576

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Popular Name: (2S)-N-(3-methoxyphenyl)-N'-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(3-methoxyphenyl)-N'-(2-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) 4.66 -0.75 -20.87 2 6 0 70 415.493 5 ↓

Analogs

34968575
34968575
34968576
34968576

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Popular Name: (2R)-N-(3-methoxyphenyl)-N'-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(3-methoxyphenyl)-N'-(2-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) 4.66 -0.74 -21.08 2 6 0 70 415.493 5 ↓

Analogs

34968579
34968579
34968580
34968580

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Popular Name: (2R)-N-(3-chlorophenyl)-N'-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(3-chlorophenyl)-N'-(2-ph…

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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) 5.28 -0.91 -18.59 2 5 0 61 419.912 4 ↓

Analogs

34968579
34968579
34968580
34968580

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Popular Name: (2S)-N-(3-chlorophenyl)-N'-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(3-chlorophenyl)-N'-(2-ph…

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) 5.28 -0.91 -15.86 2 5 0 61 419.912 4 ↓

Parameters Provided:

ring.id = 225560
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 = 225560 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=225560&filter.purchasability=annotated

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