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

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Popular Name: 2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]quinoline-3-carbonitrile 2-[methyl-[[(2R)-tetrahydropyran…

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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) 2.95 9.13 -7.71 0 4 0 49 281.359 3 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]quinoline-3-carbonitrile 2-[methyl-[[(2S)-tetrahydropyran…

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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) 2.95 9.15 -7.79 0 4 0 49 281.359 3 ↓

Analogs

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Popular Name: N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]quinoline-2,6-diamine N2-methyl-N2-[[(2S)-tetrahydropy…

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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) 2.32 6.74 -8.59 2 4 0 51 271.364 3 ↓
Mid Mid (pH 6-8) 2.32 6.87 -23.06 3 4 1 53 272.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-methyl-N2-[[(2R)-tetrahydropyran-2-yl]methyl]quinoline-2,6-diamine N2-methyl-N2-[[(2R)-tetrahydropy…

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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) 2.32 6.54 -7.1 2 4 0 51 271.364 3 ↓
Mid Mid (pH 6-8) 2.32 6.87 -24.48 3 4 1 53 272.372 3 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]quinoline-3-carbaldehyde 2-[methyl-[[(2S)-tetrahydropyran…

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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) 2.98 8.66 -9.04 0 4 0 42 284.359 4 ↓

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]quinoline-3-carbaldehyde 2-[methyl-[[(2R)-tetrahydropyran…

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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) 2.98 8.63 -8.16 0 4 0 42 284.359 4 ↓

Analogs

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Popular Name: [2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-3-quinolyl]methanol [2-[methyl-[[(2S)-tetrahydropyra…

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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) 2.53 6.28 -9.28 1 4 0 46 286.375 4 ↓
Mid Mid (pH 6-8) 2.53 6.79 -22.37 2 4 1 47 287.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]-3-quinolyl]methanol [2-[methyl-[[(2R)-tetrahydropyra…

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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) 2.53 6.26 -8.58 1 4 0 46 286.375 4 ↓
Mid Mid (pH 6-8) 2.53 6.7 -23.01 2 4 1 47 287.383 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]quinolin-2-amine 3-(chloromethyl)-N-methyl-N-[[(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) 3.77 10.21 -7.79 0 3 0 25 304.821 4 ↓
Mid Mid (pH 6-8) 3.77 10.73 -23.51 1 3 1 27 305.829 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]quinolin-2-amine 3-(chloromethyl)-N-methyl-N-[[(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) 3.77 10.17 -7.26 0 3 0 25 304.821 4 ↓
Mid Mid (pH 6-8) 3.77 10.62 -24.08 1 3 1 27 305.829 4 ↓

Analogs

42424478
42424478
42424479
42424479

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Popular Name: [2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-4-quinolyl]methanol [2-[methyl-[[(2S)-tetrahydropyra…

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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 6.3 -10.35 1 4 0 46 286.375 4 ↓
Mid Mid (pH 6-8) 2.84 6.6 -22.45 2 4 1 47 287.383 4 ↓

Analogs

42424478
42424478
42424479
42424479

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]-4-quinolyl]methanol [2-[methyl-[[(2R)-tetrahydropyra…

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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 6.11 -8.95 1 4 0 46 286.375 4 ↓
Mid Mid (pH 6-8) 2.84 6.44 -24.28 2 4 1 47 287.383 4 ↓

Analogs

42465401
42465401
42465403
42465403
42424522
42424522
42424523
42424523

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]quinolin-2-amine 4-(chloromethyl)-N-methyl-N-[[(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) 4.07 10.04 -8.52 0 3 0 25 304.821 4 ↓
Mid Mid (pH 6-8) 4.07 10.32 -24.05 1 3 1 27 305.829 4 ↓

Analogs

42465401
42465401
42465403
42465403
42424522
42424522
42424523
42424523

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]quinolin-2-amine 4-(chloromethyl)-N-methyl-N-[[(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) 4.07 9.84 -6.95 0 3 0 25 304.821 4 ↓
Mid Mid (pH 6-8) 4.07 10.16 -25.81 1 3 1 27 305.829 4 ↓

Parameters Provided:

ring.id = 541582
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 = 541582 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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