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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-methylcyclohexyl)-2-(pyrrolidin-1-ylmethyl)aniline N-(4-methylcyclohexyl)-2-(pyrrol…

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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) 4.30 10.61 -32.26 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-(4-ethylcyclohexyl)-2-(pyrrolidin-1-ylmethyl)aniline N-(4-ethylcyclohexyl)-2-(pyrroli…

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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) 4.98 11.56 -32.83 2 2 1 16 287.471 5 ↓

Analogs

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Popular Name: N-[(1S,2R)-2-methylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S,2R)-2-methylcyclohexyl]-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) 4.77 11.07 -32.34 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-[(1S,2S)-2-methylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S,2S)-2-methylcyclohexyl]-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) 4.77 10.77 -32.35 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-methylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R,2R)-2-methylcyclohexyl]-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) 4.77 10.76 -32.48 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-methylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R,2S)-2-methylcyclohexyl]-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) 4.77 11.07 -32.49 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S,3R)-3-methylcyclohexyl]-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) 4.53 10.61 -32.29 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1S,3S)-3-methylcyclohexyl]-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) 4.53 10.91 -32.24 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R,3R)-3-methylcyclohexyl]-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) 4.53 10.91 -32.46 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(1R,3S)-3-methylcyclohexyl]-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) 4.53 10.75 -31.94 2 2 1 16 273.444 4 ↓

Analogs

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Popular Name: N-[(2S,6R)-2,6-dimethylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(2S,6R)-2,6-dimethylcyclohexy…

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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) 5.01 11.9 -32.47 2 2 1 16 287.471 4 ↓

Analogs

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Popular Name: N-[(2S,6S)-2,6-dimethylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(2S,6S)-2,6-dimethylcyclohexy…

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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) 5.01 11.34 -32.58 2 2 1 16 287.471 4 ↓

Analogs

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Popular Name: N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(2R,6R)-2,6-dimethylcyclohexy…

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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) 5.01 11.33 -32.81 2 2 1 16 287.471 4 ↓

Analogs

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Popular Name: N-cyclohexyl-2-(pyrrolidin-1-ylmethyl)aniline N-cyclohexyl-2-(pyrrolidin-1-ylm…

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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) 4.53 10 -32.28 2 2 1 16 259.417 4 ↓

Analogs

43426666
43426666
43426667
43426667
43426668
43426668
43426669
43426669
43426670
43426670

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Popular Name: N-[(1S,2R)-2-methoxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(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) 3.99 9.34 -31.48 2 3 1 26 289.443 5 ↓

Analogs

43426666
43426666
43426667
43426667
43426668
43426668
43426669
43426669
43426670
43426670

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methoxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(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) 3.99 9.05 -33.26 2 3 1 26 289.443 5 ↓

Analogs

43426666
43426666
43426667
43426667
43426668
43426668
43426669
43426669
43426670
43426670

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methoxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(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) 3.99 9.05 -31.99 2 3 1 26 289.443 5 ↓

Analogs

43426666
43426666
43426667
43426667
43426668
43426668
43426669
43426669
43426670
43426670

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methoxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)aniline N-[(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) 3.99 9.34 -29.98 2 3 1 26 289.443 5 ↓

Parameters Provided:

ring.id = 149918
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 = 149918 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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