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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)-2-(cyclopropylamino)-2-methyl-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanenitrile (2S)-2-(cyclopropylamino)-2-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) 2.01 3.87 -12.19 2 5 0 82 278.381 6 ↓
Mid Mid (pH 6-8) 2.47 3.02 -74.62 2 5 0 89 278.381 6 ↓
Mid Mid (pH 6-8) 2.01 5 -57.18 3 5 1 86 279.389 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanenitrile (2R)-2-(cyclopropylamino)-2-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) 2.01 3.9 -14.03 2 5 0 82 278.381 6 ↓
Mid Mid (pH 6-8) 2.47 3.08 -74.55 2 5 0 89 278.381 6 ↓
Mid Mid (pH 6-8) 2.01 5.06 -57.29 3 5 1 86 279.389 6 ↓

Analogs

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Popular Name: methyl 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) 1.21 4.81 -50.2 3 6 1 89 284.361 8 ↓
Hi High (pH 8-9.5) 1.66 1.78 -48.09 1 6 -1 87 282.345 8 ↓
Mid Mid (pH 6-8) 1.66 2.8 -65.88 2 6 0 92 283.353 8 ↓

Analogs

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Popular Name: methyl 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) 1.21 4.73 -50.63 3 6 1 89 284.361 8 ↓
Hi High (pH 8-9.5) 1.66 1.83 -47.67 1 6 -1 87 282.345 8 ↓
Mid Mid (pH 6-8) 1.21 3.34 -21.4 2 6 0 84 283.353 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(4-hydroxypyrimidin-2-yl)sulfanyl-butanoic (2S)-2-(cyclopropylamino)-4-(4-h…

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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) -0.87 4.79 -40.32 3 6 0 102 269.326 7 ↓
Mid Mid (pH 6-8) -0.41 2.73 -60.42 2 6 -1 106 268.318 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(4-hydroxypyrimidin-2-yl)sulfanyl-butanoic (2R)-2-(cyclopropylamino)-4-(4-h…

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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) -0.87 4.76 -41.01 3 6 0 102 269.326 7 ↓
Mid Mid (pH 6-8) -0.41 2.84 -60.99 2 6 -1 106 268.318 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(4-hydroxypyrimidin-2-yl)sulfanyl-butanamide (2S)-2-(cyclopropylamino)-4-(4-h…

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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) 0.64 0.88 -51.8 5 6 1 105 269.35 7 ↓
Hi High (pH 8-9.5) 1.09 -2.02 -48.31 3 6 -1 104 267.334 7 ↓
Mid Mid (pH 6-8) 1.09 -1.1 -53.81 4 6 0 109 268.342 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(4-hydroxypyrimidin-2-yl)sulfanyl-butanamide (2R)-2-(cyclopropylamino)-4-(4-h…

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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) 0.64 0.89 -51.46 5 6 1 105 269.35 7 ↓
Hi High (pH 8-9.5) 1.09 -2.09 -47.54 3 6 -1 104 267.334 7 ↓
Mid Mid (pH 6-8) 1.09 -1.09 -53.25 4 6 0 109 268.342 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic (2S)-2-(cyclopropylamino)-4-[(4-…

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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) 0.65 6.94 -40.85 3 6 0 102 311.407 9 ↓
Hi High (pH 8-9.5) 1.10 5.02 -62.36 2 6 -1 106 310.399 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoic (2R)-2-(cyclopropylamino)-4-[(4-…

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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) 0.65 6.88 -40.4 3 6 0 102 311.407 9 ↓
Hi High (pH 8-9.5) 1.10 4.96 -62.01 2 6 -1 106 310.399 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide (2S)-2-(cyclopropylamino)-4-[(4-…

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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 3.02 -51.73 5 6 1 105 311.431 9 ↓
Mid Mid (pH 6-8) 2.61 1.08 -54.19 4 6 0 109 310.423 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide (2R)-2-(cyclopropylamino)-4-[(4-…

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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 3.01 -51.95 5 6 1 105 311.431 9 ↓
Mid Mid (pH 6-8) 2.61 1.07 -54.77 4 6 0 109 310.423 9 ↓

Analogs

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Popular Name: ethyl 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) 2.02 6.36 -50.49 3 6 1 89 312.415 9 ↓
Hi High (pH 8-9.5) 2.48 2.96 -47.02 1 6 -1 87 310.399 9 ↓
Mid Mid (pH 6-8) 2.02 4.94 -10.88 2 6 0 84 311.407 9 ↓

Analogs

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Popular Name: ethyl 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) 2.02 6.35 -49.71 3 6 1 89 312.415 9 ↓
Hi High (pH 8-9.5) 2.48 2.84 -45.29 1 6 -1 87 310.399 9 ↓
Mid Mid (pH 6-8) 2.02 4.81 -12.45 2 6 0 84 311.407 9 ↓

Analogs

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Popular Name: methyl 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) 1.64 4.54 -11.05 2 6 0 84 297.38 8 ↓
Hi High (pH 8-9.5) 2.10 1.9 -45.41 1 6 -1 87 296.372 8 ↓
Mid Mid (pH 6-8) 1.64 4.82 -54.52 3 6 1 89 298.388 8 ↓

Analogs

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Popular Name: methyl 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) 1.64 4.48 -13.51 2 6 0 84 297.38 8 ↓
Hi High (pH 8-9.5) 2.10 2.02 -47.26 1 6 -1 87 296.372 8 ↓
Mid Mid (pH 6-8) 1.64 4.83 -49.96 3 6 1 89 298.388 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic (2S)-2-(cyclopropylamino)-4-[(6-…

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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) -0.43 5.43 -41.41 3 6 0 102 283.353 7 ↓
Hi High (pH 8-9.5) 0.03 3.44 -62.52 2 6 -1 106 282.345 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoic (2R)-2-(cyclopropylamino)-4-[(6-…

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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) -0.43 5.32 -39.82 3 6 0 102 283.353 7 ↓
Hi High (pH 8-9.5) 0.03 3.33 -61.95 2 6 -1 106 282.345 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide (2S)-2-(cyclopropylamino)-4-[(6-…

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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) 1.08 1.51 -51.87 5 6 1 105 283.377 7 ↓
Hi High (pH 8-9.5) 1.53 -1.41 -50.37 3 6 -1 104 281.361 7 ↓
Hi High (pH 8-9.5) 1.08 0.58 -13.8 4 6 0 101 282.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide (2R)-2-(cyclopropylamino)-4-[(6-…

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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) 1.08 1.5 -52.08 5 6 1 105 283.377 7 ↓
Hi High (pH 8-9.5) 1.53 -1.47 -49.25 3 6 -1 104 281.361 7 ↓
Hi High (pH 8-9.5) 1.08 0.52 -16.5 4 6 0 101 282.369 7 ↓

Parameters Provided:

ring.id = 15316
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 = 15316 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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