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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19906233
19906233

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Popular Name: 5-[(4-ethylcyclohexyl)amino]-2-methyl-isoindoline-1,3-dione 5-[(4-ethylcyclohexyl)amino]-2-m…

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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) 4.39 7.19 -7.99 1 4 0 51 286.375 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[(2-methyl-1,3-dioxo-isoindolin-5-yl)amino]cyclohexanecarbonitrile (1S,2R)-2-[(2-methyl-1,3-dioxo-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) 3.58 5.93 -14.83 1 5 0 75 283.331 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[(2-methyl-1,3-dioxo-isoindolin-5-yl)amino]cyclohexanecarbonitrile (1S,2S)-2-[(2-methyl-1,3-dioxo-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) 3.58 6.26 -13.07 1 5 0 75 283.331 2 ↓

Analogs

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Popular Name: (1R,2R)-2-[(2-methyl-1,3-dioxo-isoindolin-5-yl)amino]cyclohexanecarbonitrile (1R,2R)-2-[(2-methyl-1,3-dioxo-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) 3.58 6.26 -13.1 1 5 0 75 283.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(2-methyl-1,3-dioxo-isoindolin-5-yl)amino]cyclohexanecarbonitrile (1R,2S)-2-[(2-methyl-1,3-dioxo-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) 3.58 5.93 -14.85 1 5 0 75 283.331 2 ↓

Analogs

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Popular Name: 5-[[(1R,3S)-3-methoxycyclohexyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1R,3S)-3-methoxycyclohexyl]…

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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) 3.16 4.93 -8.83 1 5 0 60 288.347 3 ↓

Analogs

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Popular Name: 5-[[(1S,3S)-3-methoxycyclohexyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1S,3S)-3-methoxycyclohexyl]…

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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) 3.16 5.24 -8.86 1 5 0 60 288.347 3 ↓

Analogs

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Popular Name: 5-[[(1R,3R)-3-methoxycyclohexyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1R,3R)-3-methoxycyclohexyl]…

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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) 3.16 5.24 -8.86 1 5 0 60 288.347 3 ↓

Analogs

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Popular Name: 5-[[(1S,3R)-3-methoxycyclohexyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1S,3R)-3-methoxycyclohexyl]…

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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) 3.16 4.93 -8.84 1 5 0 60 288.347 3 ↓

Analogs

37875819
37875819
37875824
37875824
37875825
37875825
37875826
37875826
37875827
37875827

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Popular Name: 5-[[(1R,2S)-2-methoxycyclohexyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1R,2S)-2-methoxycyclohexyl]…

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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) 3.40 5.28 -8.22 1 5 0 60 288.347 3 ↓

Analogs

37875819
37875819
37875824
37875824
37875825
37875825
37875826
37875826
37875827
37875827

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Popular Name: 5-[[(1S,2S)-2-methoxycyclohexyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1S,2S)-2-methoxycyclohexyl]…

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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) 3.40 4.98 -8.01 1 5 0 60 288.347 3 ↓

Analogs

37875819
37875819
37875824
37875824
37875825
37875825
37875826
37875826
37875827
37875827

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Popular Name: 5-[[(1R,2R)-2-methoxycyclohexyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1R,2R)-2-methoxycyclohexyl]…

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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) 3.40 4.98 -8.04 1 5 0 60 288.347 3 ↓

Analogs

37875819
37875819
37875824
37875824
37875825
37875825
37875826
37875826
37875827
37875827

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Popular Name: 5-[[(1S,2R)-2-methoxycyclohexyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1S,2R)-2-methoxycyclohexyl]…

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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) 3.40 5.28 -8.25 1 5 0 60 288.347 3 ↓

Analogs

37875824
37875824
37875825
37875825
37875826
37875826
37875827
37875827

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2R)-2-methoxycyclohexyl]amino]isoindoline-1,3-dione 5-[[(1S,2R)-2-methoxycyclohexyl]…

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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) 3.33 2.9 -7.86 2 5 0 71 274.32 3 ↓

Analogs

37875824
37875824
37875825
37875825
37875826
37875826
37875827
37875827

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,2S)-2-methoxycyclohexyl]amino]isoindoline-1,3-dione 5-[[(1S,2S)-2-methoxycyclohexyl]…

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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) 3.33 2.59 -7.71 2 5 0 71 274.32 3 ↓

Analogs

37875824
37875824
37875825
37875825
37875826
37875826
37875827
37875827

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2R)-2-methoxycyclohexyl]amino]isoindoline-1,3-dione 5-[[(1R,2R)-2-methoxycyclohexyl]…

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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) 3.33 2.59 -7.69 2 5 0 71 274.32 3 ↓

Analogs

37875824
37875824
37875825
37875825
37875826
37875826
37875827
37875827

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,2S)-2-methoxycyclohexyl]amino]isoindoline-1,3-dione 5-[[(1R,2S)-2-methoxycyclohexyl]…

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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) 3.33 2.89 -7.87 2 5 0 71 274.32 3 ↓

Parameters Provided:

ring.id = 61722
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 = 61722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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