UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814877
11814877

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Popular Name: methyl methyl

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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) 4.08 -0.2 -20.45 2 6 0 85 444.531 9 ↓

Analogs

11814875
11814875

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Popular Name: methyl methyl

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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) 4.08 -0.23 -19.43 2 6 0 85 444.531 9 ↓

Analogs

11839105
11839105

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Popular Name: N-benzyl-N-ethyl-3-[(2R)-2-(2-naphthylmethyl)-5-oxo-pyrrolidin-2-yl]propanamide N-benzyl-N-ethyl-3-[(2R)-2-(2-na…

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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) 4.53 0.95 -16.87 1 4 0 49 414.549 8 ↓

Analogs

11839103
11839103

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Popular Name: N-benzyl-N-ethyl-3-[(2S)-2-(2-naphthylmethyl)-5-oxo-pyrrolidin-2-yl]propanamide N-benzyl-N-ethyl-3-[(2S)-2-(2-na…

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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) 4.53 0.75 -16.73 1 4 0 49 414.549 8 ↓

Analogs

12035440
12035440

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Popular Name: 3-[(2R)-2-(2-naphthylmethyl)-5-oxo-pyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide 3-[(2R)-2-(2-naphthylmethyl)-5-o…

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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) 3.54 -0.62 -21.33 2 7 0 86 476.573 10 ↓

Analogs

12035435
12035435

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Popular Name: 3-[(2S)-2-(2-naphthylmethyl)-5-oxo-pyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide 3-[(2S)-2-(2-naphthylmethyl)-5-o…

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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) 3.54 -0.58 -20.54 2 7 0 86 476.573 10 ↓

Analogs

12213448
12213448

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Popular Name: 3-[(2R)-2-(2-naphthylmethyl)-5-oxo-pyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamid 3-[(2R)-2-(2-naphthylmethyl)-5-o…

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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) 4.86 0.2 -16.77 2 5 0 67 470.491 9 ↓

Analogs

12213445
12213445

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Popular Name: 3-[(2S)-2-(2-naphthylmethyl)-5-oxo-pyrrolidin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamid 3-[(2S)-2-(2-naphthylmethyl)-5-o…

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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) 4.86 0.17 -16.66 2 5 0 67 470.491 9 ↓

Parameters Provided:

ring.id = 47714
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 = 47714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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