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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4S)-1-ethyl-6-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrr (4S)-1-ethyl-6-[(1S)-3-methyl-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) 3.47 12.16 -28.43 1 10 0 119 469.542 7 ↓

Analogs

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Popular Name: (4R)-1-ethyl-6-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrr (4R)-1-ethyl-6-[(1S)-3-methyl-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) 3.47 12.17 -29.61 1 10 0 119 469.542 7 ↓

Analogs

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Popular Name: (4S)-1-ethyl-6-[(1R)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrr (4S)-1-ethyl-6-[(1R)-3-methyl-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) 3.47 12.54 -30.07 1 10 0 119 469.542 7 ↓

Analogs

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Popular Name: (4R)-1-ethyl-6-[(1R)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4-(3-nitrophenyl)-4,7-dihydro-3H-pyrr (4R)-1-ethyl-6-[(1R)-3-methyl-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) 3.47 12.55 -28.66 1 10 0 119 469.542 7 ↓

Analogs

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Popular Name: (4R)-1-allyl-4-(2-chlorophenyl)-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrim (4R)-1-allyl-4-(2-chlorophenyl)-…

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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) 2.79 9.11 -19.99 1 7 0 73 414.893 5 ↓

Analogs

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Popular Name: (4S)-1-allyl-4-(2-chlorophenyl)-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrim (4S)-1-allyl-4-(2-chlorophenyl)-…

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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) 2.79 8.52 -22.72 1 7 0 73 414.893 5 ↓

Analogs

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Popular Name: (4R)-1-allyl-6-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-1-allyl-6-[(1S)-1-methyl-2-…

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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) 2.92 10.59 -24.07 1 7 0 73 408.502 5 ↓

Analogs

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Popular Name: (4S)-1-allyl-6-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-1-allyl-6-[(1S)-1-methyl-2-…

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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) 2.92 10.59 -24.17 1 7 0 73 408.502 5 ↓

Analogs

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Popular Name: (4R)-1-allyl-6-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-1-allyl-6-[(1R)-1-methyl-2-…

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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) 2.92 10.68 -24.26 1 7 0 73 408.502 5 ↓

Analogs

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Popular Name: (4S)-1-allyl-6-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-1-allyl-6-[(1R)-1-methyl-2-…

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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) 2.92 10.68 -24.01 1 7 0 73 408.502 5 ↓

Analogs

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Popular Name: (4S)-1-methyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo (4S)-1-methyl-6-(2-oxo-2-pyrroli…

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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) 2.37 7.72 -21.79 1 7 0 73 422.407 4 ↓

Analogs

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Popular Name: (4R)-1-methyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo (4R)-1-methyl-6-(2-oxo-2-pyrroli…

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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) 2.37 7.71 -23.8 1 7 0 73 422.407 4 ↓

Analogs

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Popular Name: (4R)-4-(2,4-dimethylphenyl)-1-methyl-6-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4,7-dihydro-3 (4R)-4-(2,4-dimethylphenyl)-1-me…

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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) 3.99 11.06 -25.52 1 7 0 73 438.572 5 ↓

Analogs

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Popular Name: (4S)-4-(2,4-dimethylphenyl)-1-methyl-6-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4,7-dihydro-3 (4S)-4-(2,4-dimethylphenyl)-1-me…

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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) 3.99 11.1 -25.48 1 7 0 73 438.572 5 ↓

Analogs

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Popular Name: (4R)-4-(2,4-dimethylphenyl)-1-methyl-6-[(1R)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4,7-dihydro-3 (4R)-4-(2,4-dimethylphenyl)-1-me…

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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) 3.99 11.69 -25.39 1 7 0 73 438.572 5 ↓

Analogs

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Popular Name: (4S)-4-(2,4-dimethylphenyl)-1-methyl-6-[(1R)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]-4,7-dihydro-3 (4S)-4-(2,4-dimethylphenyl)-1-me…

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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) 3.99 11.59 -25.52 1 7 0 73 438.572 5 ↓

Parameters Provided:

ring.id = 20249
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 = 20249 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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