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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: N6-[(1S,2R,4R)-2,4-dimethylcyclohexyl]quinoline-5,6-diamine N6-[(1S,2R,4R)-2,4-dimethylcyclo…

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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) 4.31 7.38 -28.18 4 3 1 52 270.4 2 ↓
Mid Mid (pH 6-8) 4.31 6.96 -6.18 3 3 0 51 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-[(1S,2R,4S)-2,4-dimethylcyclohexyl]quinoline-5,6-diamine N6-[(1S,2R,4S)-2,4-dimethylcyclo…

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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) 4.31 6.76 -28.52 4 3 1 52 270.4 2 ↓
Mid Mid (pH 6-8) 4.31 6.34 -6.35 3 3 0 51 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-[(1R,2R,4R)-2,4-dimethylcyclohexyl]quinoline-5,6-diamine N6-[(1R,2R,4R)-2,4-dimethylcyclo…

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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) 4.31 7.08 -28.36 4 3 1 52 270.4 2 ↓
Mid Mid (pH 6-8) 4.31 6.66 -6.27 3 3 0 51 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-[(1R,2R,4S)-2,4-dimethylcyclohexyl]quinoline-5,6-diamine N6-[(1R,2R,4S)-2,4-dimethylcyclo…

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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) 4.31 6.85 -28.4 4 3 1 52 270.4 2 ↓
Mid Mid (pH 6-8) 4.31 6.42 -6.34 3 3 0 51 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N6-methyl-N6-(4-methylcyclohexyl)quinoline-5,6-diamine N6-methyl-N6-(4-methylcyclohexyl…

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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) 3.41 7.24 -5.75 2 3 0 42 269.392 2 ↓
Mid Mid (pH 6-8) 3.41 7.67 -28.91 3 3 1 43 270.4 2 ↓

Analogs

42187684
42187684

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-5-nitro-quinolin-6-amine N-cyclohexyl-5-nitro-quinolin-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) 4.54 8.06 -8.1 1 5 0 71 271.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-5-nitro-quinolin-6-amine N-[(1S,3R)-3-methylcyclohexyl]-5…

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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) 4.55 8.67 -8.03 1 5 0 71 285.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-5-nitro-quinolin-6-amine N-[(1S,3S)-3-methylcyclohexyl]-5…

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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) 4.55 8.97 -9.04 1 5 0 71 285.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-5-nitro-quinolin-6-amine N-[(1R,3R)-3-methylcyclohexyl]-5…

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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) 4.55 8.97 -9.02 1 5 0 71 285.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-5-nitro-quinolin-6-amine N-[(1R,3S)-3-methylcyclohexyl]-5…

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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) 4.55 8.67 -8.05 1 5 0 71 285.347 3 ↓

Parameters Provided:

ring.id = 524202
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 = 524202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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