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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: (2R)-1-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(2,4-dimethyl-6-methylsul…

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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) -1.66 6.29 -59.42 0 6 -1 86 294.356 3 ↓

Analogs

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Popular Name: (2S)-1-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(2,4-dimethyl-6-methylsul…

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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) -1.66 6.33 -57.45 0 6 -1 86 294.356 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(6-methyl-4-meth…

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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) 0.16 1.38 -97.64 0 7 -2 109 309.347 3 ↓
Mid Mid (pH 6-8) -0.30 3.22 -53.93 1 7 -1 106 310.355 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(6-methyl-4-meth…

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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) 0.16 1.44 -104.02 0 7 -2 109 309.347 3 ↓
Mid Mid (pH 6-8) -0.30 3.28 -51.33 1 7 -1 106 310.355 3 ↓

Analogs

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Popular Name: (3R)-1-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2,4-dimethyl-6-methylsul…

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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 6.37 -49.74 0 6 -1 86 308.383 3 ↓

Analogs

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Popular Name: (3S)-1-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2,4-dimethyl-6-methylsul…

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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 6.43 -54.48 0 6 -1 86 308.383 3 ↓

Analogs

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Popular Name: 2-hydrazino-5-(pyrrolidin-1-ylcarbonyl)pyrimidine 2-hydrazino-5-(pyrrolidin-1-ylca…

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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) -1.24 2.77 -10.63 3 6 0 84 207.237 2 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-N-methyl-1-(4-propylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (2S,4S)-4-amino-N-methyl-1-(4-pr…

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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) -1.66 2.53 -68.8 4 7 1 103 292.363 4 ↓
Hi High (pH 8-9.5) -1.66 2.23 -15.4 3 7 0 101 291.355 4 ↓

Analogs

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Popular Name: (2S,4R)-4-amino-1-[2-(dimethylamino)-4-methyl-pyrimidine-5-carbonyl]-N,N-diethyl-pyrrolidine-2-carbo (2S,4R)-4-amino-1-[2-(dimethylam…

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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) -0.77 6.06 -69.18 3 8 1 97 349.459 5 ↓
Hi High (pH 8-9.5) -0.77 5.77 -15.59 2 8 0 96 348.451 5 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-N-isopropyl-1-(2-methylsulfanylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (2S,4S)-4-amino-N-isopropyl-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) -0.97 1.18 -71.49 4 7 1 103 324.43 4 ↓
Hi High (pH 8-9.5) -0.97 0.9 -15.69 3 7 0 101 323.422 4 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-1-[2-(dimethylamino)-4-methyl-pyrimidine-5-carbonyl]-N,N-diethyl-pyrrolidine-2-carbo (2S,4S)-4-amino-1-[2-(dimethylam…

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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) -0.77 6.08 -67.9 3 8 1 97 349.459 5 ↓

Analogs

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Popular Name: 2-[(2R)-1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(6-methyl-4-methylsulf…

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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) 0.08 1.72 -101.43 0 7 -2 109 309.347 4 ↓
Mid Mid (pH 6-8) -0.38 3.21 -57.09 1 7 -1 106 310.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(6-methyl-4-methylsulf…

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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) 0.08 1.7 -101.14 0 7 -2 109 309.347 4 ↓
Mid Mid (pH 6-8) -0.38 3.63 -51.83 1 7 -1 106 310.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(2,4-dimethyl-6-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) 0.06 6.71 -53.19 0 6 -1 86 308.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(2,4-dimethyl-6-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) 0.06 6.68 -52.79 0 6 -1 86 308.383 4 ↓

Parameters Provided:

ring.id = 127895
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 = 127895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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