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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: (2S,4R)-4-methoxy-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-1-[2-(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) -0.75 4.75 -59.37 0 5 -1 70 268.314 4 ↓

Analogs

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Popular Name: (2S,4S)-4-methoxy-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-1-[2-(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) -0.75 4.71 -62.06 0 5 -1 70 268.314 4 ↓

Analogs

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Popular Name: (2R,4R)-4-methoxy-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-[2-(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) -0.75 4.73 -63.42 0 5 -1 70 268.314 4 ↓

Analogs

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Popular Name: (2R,4S)-4-methoxy-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-[2-(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) -0.75 4.73 -64.06 0 5 -1 70 268.314 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-(2-thienyl)acetyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-(2-thienyl)ac…

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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) 1.36 6.75 -53.84 0 4 -1 60 252.315 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-(2-thienyl)acetyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-(2-thienyl)ac…

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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) 1.36 6.82 -56.04 0 4 -1 60 252.315 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-(2-thienyl)acetyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-(2-thienyl)ace…

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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) 1.69 7.41 -48.55 0 4 -1 60 266.342 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[2-(2-thienyl)acetyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-(2-thienyl)ace…

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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) 1.69 7.32 -55.25 0 4 -1 60 266.342 4 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-[2-(2-thienyl)acetyl]pyrrolidine-3-carboxylic (3S)-3-propyl-1-[2-(2-thienyl)ac…

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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) 2.25 8.17 -48.91 0 4 -1 60 280.369 5 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-[2-(2-thienyl)acetyl]pyrrolidine-3-carboxylic (3R)-3-propyl-1-[2-(2-thienyl)ac…

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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) 2.25 8.07 -55.66 0 4 -1 60 280.369 5 ↓

Analogs

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Popular Name: [2-(isopropylamino)-2-oxo-ethyl] [2-(isopropylamino)-2-oxo-ethyl]

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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) 1.40 8.15 -18.54 1 6 0 76 338.429 7 ↓

Analogs

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Popular Name: [2-(isopropylamino)-2-oxo-ethyl] [2-(isopropylamino)-2-oxo-ethyl]

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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) 1.40 8.14 -18.96 1 6 0 76 338.429 7 ↓

Analogs

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Popular Name: (2R)-N-(2-acetamidoethyl)-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxamide (2R)-N-(2-acetamidoethyl)-1-[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) 0.01 4.44 -22 2 6 0 79 323.418 6 ↓

Analogs

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Popular Name: (2R)-N-butyl-N-ethyl-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxamide (2R)-N-butyl-N-ethyl-1-[2-(2-thi…

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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 9.41 -17.35 0 4 0 41 322.474 7 ↓

Analogs

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Popular Name: (2R)-N-methoxy-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxamide (2R)-N-methoxy-1-[2-(2-thienyl)a…

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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) 0.82 5.94 -22.32 1 5 0 59 268.338 4 ↓
Hi High (pH 8-9.5) 1.01 3.69 -63.79 0 5 -1 65 267.33 4 ↓
Hi High (pH 8-9.5) 1.01 2.55 -59.54 0 5 -1 65 267.33 4 ↓

Analogs

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Popular Name: 3-methoxypropyl 3-methoxypropyl

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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) 1.87 8.02 -15.94 0 5 0 56 311.403 8 ↓

Analogs

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Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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) 2.54 8.6 -14.27 0 4 0 47 321.32 6 ↓

Analogs

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Popular Name: allyl allyl

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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) 2.26 8.72 -15.53 0 4 0 47 279.361 6 ↓

Analogs

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Popular Name: 2-isopropoxyethyl 2-isopropoxyethyl

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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) 2.15 9.09 -17.47 0 5 0 56 325.43 8 ↓

Analogs

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Popular Name: isopentyl isopentyl

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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) 3.27 10.24 -15.29 0 4 0 47 309.431 7 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 1.42 7.37 -17.54 0 5 0 56 297.376 7 ↓

Analogs

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Popular Name: [(E)-but-2-enyl] [(E)-but-2-enyl]

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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) 2.51 9.58 -15.49 0 4 0 47 293.388 6 ↓

Analogs

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Popular Name: (2S)-N-(5-methoxypentyl)-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxamide (2S)-N-(5-methoxypentyl)-1-[2-(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) 1.89 7.24 -18.5 1 5 0 59 338.473 9 ↓

Analogs

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Popular Name: (2S)-N-(2-bromoallyl)-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxamide (2S)-N-(2-bromoallyl)-1-[2-(2-th…

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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) 1.97 7.02 -16.89 1 4 0 49 357.273 5 ↓

Analogs

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Popular Name: (2R)-N-(2-bromoallyl)-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxamide (2R)-N-(2-bromoallyl)-1-[2-(2-th…

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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) 1.97 7.28 -16.42 1 4 0 49 357.273 5 ↓

Analogs

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Popular Name: (2S)-N-ethoxy-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxamide (2S)-N-ethoxy-1-[2-(2-thienyl)ac…

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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) 1.20 6.73 -21.38 1 5 0 59 282.365 5 ↓
Hi High (pH 8-9.5) 1.38 4.68 -63.47 0 5 -1 65 281.357 5 ↓

Analogs

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Popular Name: (2R)-N-ethoxy-1-[2-(2-thienyl)acetyl]pyrrolidine-2-carboxamide (2R)-N-ethoxy-1-[2-(2-thienyl)ac…

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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) 1.20 6.88 -22.28 1 5 0 59 282.365 5 ↓
Hi High (pH 8-9.5) 1.38 4.65 -64.89 0 5 -1 65 281.357 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-[2-(2-thienyl)acetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-(2-thienyl)acetyl]p…

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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) 1.27 7.1 -56.26 0 4 -1 60 252.315 4 ↓

Analogs

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Popular Name: 2-[(2S)-1-[2-(2-thienyl)acetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-(2-thienyl)acetyl]p…

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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) 1.27 7.08 -55.75 0 4 -1 60 252.315 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 47653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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