UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

58327981
58327981
58327984
58327984
7777840
7777840
12982433
12982433

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Popular Name: (3R)-5-oxo-1-(2-thienylmethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide (3R)-5-oxo-1-(2-thienylmethyl)-N…

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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) 2.91 7.13 -12.76 1 5 0 59 398.406 7 ↓

Analogs

58327981
58327981
58327984
58327984
7777840
7777840
12982433
12982433

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-oxo-1-(2-thienylmethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide (3S)-5-oxo-1-(2-thienylmethyl)-N…

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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) 2.91 7.13 -14.24 1 5 0 59 398.406 7 ↓

Analogs

9349419
9349419
9349418
9349418

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Popular Name: (3R)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxamide (3R)-N-[(2,4-dimethoxyphenyl)met…

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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) 2.01 5.96 -14.06 1 6 0 68 374.462 7 ↓

Analogs

9349419
9349419
9349418
9349418

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxamide (3S)-N-[(2,4-dimethoxyphenyl)met…

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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) 2.01 5.96 -14.86 1 6 0 68 374.462 7 ↓

Analogs

7777840
7777840
7777839
7777839
5937051
5937051

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Popular Name: (3R)-5-oxo-1-(2-thienylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (3R)-5-oxo-1-(2-thienylmethyl)-N…

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) 2.82 8.74 -13.5 1 4 0 49 382.407 6 ↓

Analogs

7777840
7777840
7777839
7777839
5937051
5937051

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-oxo-1-(2-thienylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (3S)-5-oxo-1-(2-thienylmethyl)-N…

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) 2.82 8.74 -13.68 1 4 0 49 382.407 6 ↓

Parameters Provided:

ring.id = 604256
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 = 604256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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