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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: [(3S)-3-hydroxypyrrolidin-1-yl]-[5-(2-thienyl)isoxazol-3-yl]methanone [(3S)-3-hydroxypyrrolidin-1-yl]-…

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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) 1.29 2.53 -8.53 1 5 0 67 264.306 2 ↓

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-[5-(2-thienyl)isoxazol-3-yl]methanone [(3R)-3-hydroxypyrrolidin-1-yl]-…

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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) 1.29 2.58 -9.2 1 5 0 67 264.306 2 ↓

Analogs

2802994
2802994
2802995
2802995

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Popular Name: (2R,4R)-4-hydroxy-1-[5-(2-thienyl)isoxazole-3-carbonyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[5-(2-thieny…

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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) -0.93 3.62 -57.98 1 7 -1 107 307.307 3 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[5-(2-thienyl)isoxazole-3-carbonyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[5-(2-thieny…

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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) -0.93 3.62 -58.88 1 7 -1 107 307.307 3 ↓

Analogs

2802994
2802994
2802995
2802995

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-[5-(2-thienyl)isoxazole-3-carbonyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[5-(2-thieny…

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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) -0.93 3.99 -58.45 1 7 -1 107 307.307 3 ↓

Analogs

2802994
2802994
2802995
2802995

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-[5-(2-thienyl)isoxazole-3-carbonyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[5-(2-thieny…

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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) -0.93 3.99 -57.65 1 7 -1 107 307.307 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[5-(2-thienyl)isoxazole-3-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[5-(2-thienyl)is…

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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) 1.79 6.92 -48.5 0 6 -1 86 305.335 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[5-(2-thienyl)isoxazole-3-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[5-(2-thienyl)is…

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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) 1.79 7.04 -52.67 0 6 -1 86 305.335 3 ↓

Analogs

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Popular Name: [(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[5-(2-thienyl)isoxazol-3-yl]methanone [(2S)-2-[[2-methoxyethyl(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) 2.21 7.54 -38.09 1 6 1 60 350.464 7 ↓
Hi High (pH 8-9.5) 2.21 7.3 -8.63 0 6 0 59 349.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[5-(2-thienyl)isoxazol-3-yl]methanone [(2R)-2-[[2-methoxyethyl(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) 2.21 8.09 -37.54 1 6 1 60 350.464 7 ↓
Hi High (pH 8-9.5) 2.21 5.92 -8.81 0 6 0 59 349.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[5-(2-thienyl)isoxazole-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[5-(2-thienyl)isoxazol…

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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) 1.71 7.29 -50.91 0 6 -1 86 305.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[5-(2-thienyl)isoxazole-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[5-(2-thienyl)isoxazol…

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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) 1.71 7.24 -50.81 0 6 -1 86 305.335 4 ↓

Parameters Provided:

ring.id = 8712
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 8712 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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