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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: (1S,2R)-2-quinazolin-4-ylsulfanylcyclohexanol (1S,2R)-2-quinazolin-4-ylsulfany…

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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) 3.01 6.38 -8.02 1 3 0 46 260.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-quinazolin-4-ylsulfanylcyclohexanol (1S,2S)-2-quinazolin-4-ylsulfany…

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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) 3.01 6.23 -8.25 1 3 0 46 260.362 2 ↓

Analogs

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Popular Name: (1R,2R)-2-quinazolin-4-ylsulfanylcyclohexanol (1R,2R)-2-quinazolin-4-ylsulfany…

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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) 3.01 6.23 -8.25 1 3 0 46 260.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-quinazolin-4-ylsulfanylcyclohexanol (1R,2S)-2-quinazolin-4-ylsulfany…

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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) 3.01 6.38 -8.01 1 3 0 46 260.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-4-methyl-2-quinazolin-4-ylsulfanyl-cyclohexanecarbonitrile (1R,2R,4R)-4-methyl-2-quinazolin…

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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) 3.82 10.03 -9.61 0 3 0 50 283.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-4-methyl-2-quinazolin-4-ylsulfanyl-cyclohexanecarbonitrile (1R,2R,4S)-4-methyl-2-quinazolin…

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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) 3.82 9.81 -9.15 0 3 0 50 283.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-4-methyl-2-quinazolin-4-ylsulfanyl-cyclohexanecarbonitrile (1S,2R,4R)-4-methyl-2-quinazolin…

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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) 3.82 10.18 -10.02 0 3 0 50 283.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-4-methyl-2-quinazolin-4-ylsulfanyl-cyclohexanecarbonitrile (1S,2R,4S)-4-methyl-2-quinazolin…

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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) 3.82 9.96 -10.06 0 3 0 50 283.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-4-ethyl-2-quinazolin-4-ylsulfanyl-cyclohexanecarbonitrile (1R,2R,4R)-4-ethyl-2-quinazolin-…

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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) 4.51 10.68 -9.48 0 3 0 50 297.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-4-ethyl-2-quinazolin-4-ylsulfanyl-cyclohexanecarbonitrile (1R,2R,4S)-4-ethyl-2-quinazolin-…

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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) 4.51 10.44 -9.02 0 3 0 50 297.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-4-ethyl-2-quinazolin-4-ylsulfanyl-cyclohexanecarbonitrile (1S,2R,4R)-4-ethyl-2-quinazolin-…

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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) 4.51 10.82 -10.06 0 3 0 50 297.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-4-ethyl-2-quinazolin-4-ylsulfanyl-cyclohexanecarbonitrile (1S,2R,4S)-4-ethyl-2-quinazolin-…

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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) 4.51 10.58 -10.05 0 3 0 50 297.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-quinazolin-4-ylsulfanylcyclohexanecarbonitrile (1R,2R)-2-quinazolin-4-ylsulfany…

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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) 3.81 9.44 -10.86 0 3 0 50 269.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-quinazolin-4-ylsulfanylcyclohexanecarbonitrile (1R,2S)-2-quinazolin-4-ylsulfany…

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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) 3.81 9.69 -9.87 0 3 0 50 269.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-quinazolin-4-ylsulfanylcyclohexanecarbonitrile (1S,2R)-2-quinazolin-4-ylsulfany…

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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) 3.81 9.69 -9.87 0 3 0 50 269.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-quinazolin-4-ylsulfanylcyclohexanecarbonitrile (1S,2S)-2-quinazolin-4-ylsulfany…

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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) 3.81 9.44 -10.87 0 3 0 50 269.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-quinazolin-4-ylsulfanylcyclohexyl]methanamine [(1R,2R)-2-quinazolin-4-ylsulfan…

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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) 2.83 7.15 -52.93 3 3 1 53 274.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-quinazolin-4-ylsulfanylcyclohexyl]methanamine [(1R,2S)-2-quinazolin-4-ylsulfan…

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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) 2.83 7.41 -52.4 3 3 1 53 274.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-quinazolin-4-ylsulfanylcyclohexyl]methanamine [(1S,2R)-2-quinazolin-4-ylsulfan…

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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) 2.83 7.41 -52.39 3 3 1 53 274.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-quinazolin-4-ylsulfanylcyclohexyl]methanamine [(1S,2S)-2-quinazolin-4-ylsulfan…

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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) 2.83 7.15 -52.93 3 3 1 53 274.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,4R)-4-methyl-2-quinazolin-4-ylsulfanyl-cyclohexyl]methanamine [(1R,2R,4R)-4-methyl-2-quinazoli…

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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) 2.84 7.75 -53.44 3 3 1 53 288.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,4S)-4-methyl-2-quinazolin-4-ylsulfanyl-cyclohexyl]methanamine [(1R,2R,4S)-4-methyl-2-quinazoli…

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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) 2.84 7.85 -53.53 3 3 1 53 288.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,4R)-4-methyl-2-quinazolin-4-ylsulfanyl-cyclohexyl]methanamine [(1S,2R,4R)-4-methyl-2-quinazoli…

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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) 2.84 8.02 -52.8 3 3 1 53 288.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,4S)-4-methyl-2-quinazolin-4-ylsulfanyl-cyclohexyl]methanamine [(1S,2R,4S)-4-methyl-2-quinazoli…

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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) 2.84 7.8 -52.85 3 3 1 53 288.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,4R)-4-ethyl-2-quinazolin-4-ylsulfanyl-cyclohexyl]methanamine [(1R,2R,4R)-4-ethyl-2-quinazolin…

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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 8.4 -53.86 3 3 1 53 302.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R,4S)-4-ethyl-2-quinazolin-4-ylsulfanyl-cyclohexyl]methanamine [(1R,2R,4S)-4-ethyl-2-quinazolin…

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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 8.5 -53.75 3 3 1 53 302.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,4R)-4-ethyl-2-quinazolin-4-ylsulfanyl-cyclohexyl]methanamine [(1S,2R,4R)-4-ethyl-2-quinazolin…

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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 8.67 -52.94 3 3 1 53 302.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,4S)-4-ethyl-2-quinazolin-4-ylsulfanyl-cyclohexyl]methanamine [(1S,2R,4S)-4-ethyl-2-quinazolin…

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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 8.42 -53.22 3 3 1 53 302.467 4 ↓

Parameters Provided:

ring.id = 570663
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 = 570663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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