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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(trifluoromethyl)phenyl]isoindolin-1-imine 2-[2-(trifluoromethyl)phenyl]iso…

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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) 3.08 9.2 -8.79 1 2 0 27 276.261 2 ↓

Analogs

3213361
3213361

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Popular Name: 2-(3-chlorophenyl)isoindolin-1-imine 2-(3-chlorophenyl)isoindolin-1-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) 2.88 8.73 -26.01 2 2 1 29 243.717 1 ↓
Mid Mid (pH 6-8) 2.88 8.83 -8.62 1 2 0 27 242.709 1 ↓

Analogs

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Popular Name: 2-(4-chloro-2-methoxy-5-methyl-phenyl)isoindolin-1-imine 2-(4-chloro-2-methoxy-5-methyl-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) 3.27 8.74 -25.13 2 3 1 38 287.77 2 ↓
Hi High (pH 8-9.5) 3.27 8.81 -7.7 1 3 0 36 286.762 2 ↓

Analogs

179043
179043

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Popular Name: 2-(4-tert-butylphenyl)isoindolin-1-imine 2-(4-tert-butylphenyl)isoindolin…

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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) 3.93 10.54 -24.25 2 2 1 29 265.38 2 ↓
Hi High (pH 8-9.5) 3.93 10.61 -6.52 1 2 0 27 264.372 2 ↓

Analogs

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Popular Name: 2-fluoro-6-(1-iminoisoindolin-2-yl)benzonitrile 2-fluoro-6-(1-iminoisoindolin-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) 2.05 8.96 -12.47 1 3 0 51 251.264 1 ↓

Analogs

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Popular Name: 2-(3,4-dichlorophenyl)isoindolin-1-imine hydrobromide 2-(3,4-dichlorophenyl)isoindolin…

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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) 3.51 -0.14 -29.08 2 2 1 28 278.162 1 ↓

Analogs

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Popular Name: 2-[2-fluoro-5-(trifluoromethyl)phenyl]isoindolin-1-imine 2-[2-fluoro-5-(trifluoromethyl)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) 3.21 9.41 -7.88 1 2 0 27 294.251 2 ↓
Mid Mid (pH 6-8) 3.21 9.34 -27.02 2 2 1 29 295.259 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-propylphenyl)isoindolin-1-imine 2-(4-propylphenyl)isoindolin-1-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) 3.53 10.44 -24.27 2 2 1 29 251.353 3 ↓
Hi High (pH 8-9.5) 3.53 10.55 -7.28 1 2 0 27 250.345 3 ↓

Analogs

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Popular Name: 2-(3-fluoro-4-methoxy-phenyl)isoindolin-1-imine 2-(3-fluoro-4-methoxy-phenyl)iso…

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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 7.59 -30.31 2 3 1 38 257.288 2 ↓
Hi High (pH 8-9.5) 2.38 7.69 -8.14 1 3 0 36 256.28 2 ↓

Analogs

21037506
21037506

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Popular Name: 2-[2-(difluoromethoxy)phenyl]isoindolin-1-imine 2-[2-(difluoromethoxy)phenyl]iso…

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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) 2.79 7.92 -26.42 2 3 1 38 275.278 3 ↓
Mid Mid (pH 6-8) 2.79 7.98 -9.79 1 3 0 36 274.27 3 ↓

Analogs

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Popular Name: 2-[3-(methoxymethyl)phenyl]isoindolin-1-imine 2-[3-(methoxymethyl)phenyl]isoin…

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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) 2.16 7.95 -25.43 2 3 1 38 253.325 3 ↓
Hi High (pH 8-9.5) 2.16 8.04 -9.55 1 3 0 36 252.317 3 ↓

Analogs

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Popular Name: 2-[2-(methoxymethyl)phenyl]isoindolin-1-imine 2-[2-(methoxymethyl)phenyl]isoin…

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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) 2.13 8.36 -25.55 2 3 1 38 253.325 3 ↓
Hi High (pH 8-9.5) 2.13 8.42 -7.38 1 3 0 36 252.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxy-3-methyl-phenyl)isoindolin-1-imine 2-(4-methoxy-3-methyl-phenyl)iso…

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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) 2.66 8.26 -25.99 2 3 1 38 253.325 2 ↓
Hi High (pH 8-9.5) 2.66 8.36 -8.79 1 3 0 36 252.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-ethoxyphenyl)isoindolin-1-imine 2-(3-ethoxyphenyl)isoindolin-1-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) 2.64 8.44 -25.5 2 3 1 38 253.325 3 ↓
Mid Mid (pH 6-8) 2.64 8.55 -10.56 1 3 0 36 252.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-2-methoxy-phenyl)isoindolin-1-imine 2-(5-bromo-2-methoxy-phenyl)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) 3.02 8.26 -24.54 2 3 1 38 318.194 2 ↓
Mid Mid (pH 6-8) 3.02 8.35 -8.65 1 3 0 36 317.186 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluoro-2-methoxy-phenyl)isoindolin-1-imine 2-(4-fluoro-2-methoxy-phenyl)iso…

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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 7.7 -25.89 2 3 1 38 257.288 2 ↓
Hi High (pH 8-9.5) 2.38 7.79 -8.3 1 3 0 36 256.28 2 ↓

Parameters Provided:

ring.id = 55336
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 = 55336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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