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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)-1-[(1-methylpyrazol-4-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[(1-methylpyrazol-4-yl)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) -2.38 5.12 -46.21 0 6 -1 78 222.224 3 ↓

Analogs

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Popular Name: (2R)-1-[(1-methylpyrazol-4-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[(1-methylpyrazol-4-yl)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) -2.38 4.65 -45.54 0 6 -1 78 222.224 3 ↓

Analogs

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Popular Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[(1-ethylpyrazol-4-yl)met…

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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) -2.00 5.98 -46.09 0 6 -1 78 236.251 4 ↓

Analogs

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Popular Name: (2R)-1-[(1-ethylpyrazol-4-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[(1-ethylpyrazol-4-yl)met…

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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) -2.00 5.51 -45.52 0 6 -1 78 236.251 4 ↓

Analogs

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Popular Name: (4R)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(5-chloro-1,3-dimethyl-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) 1.34 5.41 -9.92 0 4 0 38 241.722 2 ↓

Analogs

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Popular Name: (4S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(5-chloro-1,3-dimethyl-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) 1.34 5.49 -10.03 0 4 0 38 241.722 2 ↓

Analogs

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Popular Name: (4R)-1-[(5-amino-1,3-dimethyl-pyrazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(5-amino-1,3-dimethyl-py…

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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) 0.15 4.19 -29.81 3 5 1 65 223.3 2 ↓
Mid Mid (pH 6-8) 0.15 4.06 -9.39 2 5 0 64 222.292 2 ↓

Analogs

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Popular Name: (4S)-1-[(5-amino-1,3-dimethyl-pyrazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(5-amino-1,3-dimethyl-py…

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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) 0.15 4.27 -29.7 3 5 1 65 223.3 2 ↓
Mid Mid (pH 6-8) 0.15 4.13 -9.54 2 5 0 64 222.292 2 ↓

Analogs

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Popular Name: (4R)-1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[[1,3-dimethyl-5-(methyla…

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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) 0.52 4.81 -29.61 2 5 1 51 237.327 3 ↓
Hi High (pH 8-9.5) 0.52 4.67 -9.77 1 5 0 50 236.319 3 ↓

Analogs

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Popular Name: (4S)-1-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[1,3-dimethyl-5-(methyla…

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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) 0.52 4.88 -29.44 2 5 1 51 237.327 3 ↓
Hi High (pH 8-9.5) 0.52 4.75 -9.9 1 5 0 50 236.319 3 ↓

Analogs

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Popular Name: (4R)-1-[[5-(ethylamino)-1,3-dimethyl-pyrazol-4-yl]methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[[5-(ethylamino)-1,3-dime…

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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) 0.90 5.38 -11.63 1 5 0 50 250.346 4 ↓
Mid Mid (pH 6-8) 0.90 5.51 -28.03 2 5 1 51 251.354 4 ↓

Analogs

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Popular Name: (4S)-1-[[5-(ethylamino)-1,3-dimethyl-pyrazol-4-yl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[5-(ethylamino)-1,3-dime…

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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) 0.90 5.39 -11.74 1 5 0 50 250.346 4 ↓
Mid Mid (pH 6-8) 0.90 5.52 -28.11 2 5 1 51 251.354 4 ↓

Analogs

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Popular Name: (4R)-1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[[1,3-dimethyl-5-(propyla…

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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 6.15 -11.19 1 5 0 50 264.373 5 ↓
Mid Mid (pH 6-8) 1.40 6.28 -28.13 2 5 1 51 265.381 5 ↓

Analogs

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Popular Name: (4S)-1-[[1,3-dimethyl-5-(propylamino)pyrazol-4-yl]methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[[1,3-dimethyl-5-(propyla…

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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 6.15 -11.49 1 5 0 50 264.373 5 ↓
Mid Mid (pH 6-8) 1.40 6.28 -28.23 2 5 1 51 265.381 5 ↓

Analogs

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Popular Name: (4R)-1-[(5-hydrazino-1,3-dimethyl-pyrazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4R)-1-[(5-hydrazino-1,3-dimethy…

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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) -0.09 3.93 -29.58 4 6 1 77 238.315 3 ↓
Mid Mid (pH 6-8) 0.08 3.85 -9.39 3 6 0 79 237.307 2 ↓

Analogs

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Popular Name: (4S)-1-[(5-hydrazino-1,3-dimethyl-pyrazol-4-yl)methyl]-4-methyl-pyrrolidin-2-one (4S)-1-[(5-hydrazino-1,3-dimethy…

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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) -0.09 4.01 -29.47 4 6 1 77 238.315 3 ↓
Mid Mid (pH 6-8) 0.08 3.93 -18.78 3 6 0 79 237.307 2 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(1-methylpyraz…

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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) -1.07 0.66 -13.74 1 5 0 58 195.222 2 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(1-methylpyraz…

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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) -1.07 0.67 -14.34 1 5 0 58 195.222 2 ↓

Parameters Provided:

ring.id = 216841
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 = 216841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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