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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.98 8.46 -41.76 2 4 1 43 289.399 8 ↓
Hi High (pH 8-9.5) 1.98 5.88 -5.28 1 4 0 42 288.391 8 ↓

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) 1.98 8.33 -46.97 2 4 1 43 289.399 8 ↓
Hi High (pH 8-9.5) 1.98 5.75 -6.71 1 4 0 42 288.391 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-isoindolin-2-yl-butanamide (2S)-2-(cyclopropylamino)-4-isoi…

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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) 1.03 4.07 -45.93 4 4 1 60 260.361 6 ↓
Hi High (pH 8-9.5) 1.03 1.5 -7.62 3 4 0 58 259.353 6 ↓
Lo Low (pH 4.5-6) 1.03 2.44 -40.68 4 4 1 63 260.361 6 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-isoindolin-2-yl-butanamide (2R)-2-(cyclopropylamino)-4-isoi…

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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) 1.03 3.99 -52.3 4 4 1 60 260.361 6 ↓
Hi High (pH 8-9.5) 1.03 1.43 -10.44 3 4 0 58 259.353 6 ↓
Lo Low (pH 4.5-6) 1.03 5 -121.87 5 4 2 64 261.369 6 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-isoindolin-2-yl-butanoic (2S)-2-(cyclopropylamino)-4-isoi…

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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) -0.47 6.26 -34.85 2 4 0 60 260.337 6 ↓
Mid Mid (pH 6-8) -0.47 8.83 -82.5 3 4 1 61 261.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-isoindolin-2-yl-butanoic (2R)-2-(cyclopropylamino)-4-isoi…

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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) -0.47 6.36 -36.43 2 4 0 60 260.337 6 ↓
Mid Mid (pH 6-8) -0.47 8.93 -85.2 3 4 1 61 261.345 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) 1.60 7.53 -42.04 2 4 1 43 275.372 7 ↓
Hi High (pH 8-9.5) 1.60 5.4 -7.77 1 4 0 42 274.364 7 ↓

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) 1.60 7.41 -47.17 2 4 1 43 275.372 7 ↓
Hi High (pH 8-9.5) 1.60 5.46 -5.32 1 4 0 42 274.364 7 ↓

Analogs

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Popular Name: N-[(2S)-3-isoindolin-2-yl-2-methyl-propyl]cyclopropanamine N-[(2S)-3-isoindolin-2-yl-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) 2.23 6.85 -34.62 2 2 1 20 231.363 5 ↓
Hi High (pH 8-9.5) 2.23 7.85 -37.15 2 2 1 16 231.363 5 ↓

Analogs

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Popular Name: N-[(2R)-3-isoindolin-2-yl-2-methyl-propyl]cyclopropanamine N-[(2R)-3-isoindolin-2-yl-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) 2.23 6.74 -36.17 2 2 1 20 231.363 5 ↓
Hi High (pH 8-9.5) 2.23 7.66 -35.41 2 2 1 16 231.363 5 ↓

Analogs

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Popular Name: N-[(3S)-3-isoindolin-2-ylbutyl]cyclopropanamine N-[(3S)-3-isoindolin-2-ylbutyl]c…

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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) 2.08 6.15 -38.34 2 2 1 20 231.363 5 ↓
Hi High (pH 8-9.5) 2.08 7.41 -34.48 2 2 1 16 231.363 5 ↓

Analogs

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Popular Name: N-[(3R)-3-isoindolin-2-ylbutyl]cyclopropanamine N-[(3R)-3-isoindolin-2-ylbutyl]c…

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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) 2.08 6.43 -36.4 2 2 1 20 231.363 5 ↓
Hi High (pH 8-9.5) 2.08 7.39 -34.89 2 2 1 16 231.363 5 ↓

Analogs

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Popular Name: (2S,4S)-2-(cyclopropylamino)-4-isoindolin-2-yl-2-methyl-pentan-1-ol (2S,4S)-2-(cyclopropylamino)-4-i…

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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) 1.88 6.08 -29.4 3 3 1 40 275.416 6 ↓
Lo Low (pH 4.5-6) 1.88 6.17 -95.81 4 3 2 41 276.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-(cyclopropylamino)-4-isoindolin-2-yl-2-methyl-pentan-1-ol (2S,4R)-2-(cyclopropylamino)-4-i…

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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) 1.88 6.02 -30.93 3 3 1 40 275.416 6 ↓
Lo Low (pH 4.5-6) 1.88 6.03 -96.89 4 3 2 41 276.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-(cyclopropylamino)-4-isoindolin-2-yl-2-methyl-pentan-1-ol (2R,4S)-2-(cyclopropylamino)-4-i…

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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) 1.88 3.54 -34.01 3 3 1 40 275.416 6 ↓
Lo Low (pH 4.5-6) 1.88 6.06 -96.46 4 3 2 41 276.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-(cyclopropylamino)-4-isoindolin-2-yl-2-methyl-pentan-1-ol (2R,4R)-2-(cyclopropylamino)-4-i…

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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) 1.88 6.29 -27.46 3 3 1 40 275.416 6 ↓
Lo Low (pH 4.5-6) 1.88 6.21 -98.64 4 3 2 41 276.424 6 ↓

Parameters Provided:

ring.id = 124387
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 = 124387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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