UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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39302681
39302681
34952161
34952161
34952163
34952163
34952164
34952164
3637999
3637999

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Popular Name: (2S)-N-benzyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (2S)-N-benzyl-1-(2-phenylacetyl)…

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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) 2.36 9.99 -16.85 1 4 0 49 322.408 5 ↓

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Popular Name: (2S)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (2S)-N-[(3-fluoro-4-methoxy-phen…

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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) 2.51 9.1 -20.19 1 5 0 59 370.424 6 ↓

Analogs

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Popular Name: (2R)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (2R)-N-[(3-fluoro-4-methoxy-phen…

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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) 2.51 9.36 -18.8 1 5 0 59 370.424 6 ↓

Analogs

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Popular Name: (2S)-N-allyl-N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (2S)-N-allyl-N-[(4-methoxyphenyl…

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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) 3.31 11.61 -17.24 0 5 0 50 392.499 8 ↓

Analogs

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Popular Name: (2R)-N-allyl-N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (2R)-N-allyl-N-[(4-methoxyphenyl…

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) 3.31 11.47 -17.85 0 5 0 50 392.499 8 ↓

Parameters Provided:

ring.id = 52885
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 = 52885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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