UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-3-methyl-1-(4-phenoxybutanoyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-phenoxybutano…

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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) 1.88 8.02 -55.89 0 5 -1 70 290.339 6 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(4-phenoxybutanoyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-phenoxybutano…

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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) 1.88 8.09 -58.81 0 5 -1 70 290.339 6 ↓

Analogs

43453359
43453359

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Popular Name: 4-(2-methylphenoxy)-1-pyrrolidin-1-yl-butan-1-one 4-(2-methylphenoxy)-1-pyrrolidin…

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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) 2.69 7.85 -11.28 0 3 0 30 247.338 5 ↓

Analogs

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Popular Name: 4-(4-iodophenoxy)-1-pyrrolidin-1-yl-butan-1-one 4-(4-iodophenoxy)-1-pyrrolidin-1…

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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) 3.37 8.2 -10.62 0 3 0 30 359.207 5 ↓

Analogs

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Popular Name: (3S)-1-[4-(2,4-difluorophenoxy)butanoyl]pyrrolidine-3-carboxamide (3S)-1-[4-(2,4-difluorophenoxy)b…

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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) 1.38 3.86 -23.73 2 5 0 73 312.316 6 ↓

Analogs

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Popular Name: (3R)-1-[4-(2,4-difluorophenoxy)butanoyl]pyrrolidine-3-carboxamide (3R)-1-[4-(2,4-difluorophenoxy)b…

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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) 1.38 3.84 -25.1 2 5 0 73 312.316 6 ↓

Analogs

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Popular Name: 4-(4-bromophenoxy)-1-pyrrolidin-1-yl-butan-1-one 4-(4-bromophenoxy)-1-pyrrolidin-…

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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) 3.10 7.73 -10.84 0 3 0 30 312.207 5 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-N-methyl-1-(4-phenoxybutanoyl)pyrrolidine-2-carboxamide (2S,4R)-4-amino-N-methyl-1-(4-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) -0.02 2.63 -71.32 4 6 1 86 306.386 6 ↓
Hi High (pH 8-9.5) -0.02 2.36 -17.89 3 6 0 85 305.378 6 ↓

Parameters Provided:

ring.id = 307270
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 = 307270 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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