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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: (1S)-N-methyl-1-(6-quinolyl)-1-(2-thienyl)methanamine (1S)-N-methyl-1-(6-quinolyl)-1-(…

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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) 3.15 7.47 -43.38 2 2 1 29 255.366 3 ↓
Mid Mid (pH 6-8) 3.15 6.29 -7.09 1 2 0 25 254.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(6-quinolyl)-1-(2-thienyl)methanamine (1R)-N-methyl-1-(6-quinolyl)-1-(…

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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) 3.15 7.55 -43.7 2 2 1 29 255.366 3 ↓
Mid Mid (pH 6-8) 3.15 6.34 -7.1 1 2 0 25 254.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-6-quinolyl(2-thienyl)methyl]ethanamine N-[(S)-6-quinolyl(2-thienyl)meth…

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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 8.38 -41.93 2 2 1 29 269.393 4 ↓
Mid Mid (pH 6-8) 3.53 7.29 -6.8 1 2 0 25 268.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-6-quinolyl(2-thienyl)methyl]ethanamine N-[(R)-6-quinolyl(2-thienyl)meth…

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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 -41.87 2 2 1 29 269.393 4 ↓
Mid Mid (pH 6-8) 3.53 7.31 -7 1 2 0 25 268.385 4 ↓

Analogs

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Popular Name: N-[(S)-6-quinolyl(2-thienyl)methyl]propan-1-amine N-[(S)-6-quinolyl(2-thienyl)meth…

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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) 4.03 9.13 -42.48 2 2 1 29 283.42 5 ↓
Mid Mid (pH 6-8) 4.03 8.04 -6.74 1 2 0 25 282.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-6-quinolyl(2-thienyl)methyl]propan-1-amine N-[(R)-6-quinolyl(2-thienyl)meth…

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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) 4.03 9.15 -42.5 2 2 1 29 283.42 5 ↓
Mid Mid (pH 6-8) 4.03 8.06 -6.89 1 2 0 25 282.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-6-quinolyl(2-thienyl)methanol (S)-6-quinolyl(2-thienyl)methanol

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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) 2.74 5.27 -8.18 1 2 0 33 241.315 2 ↓
Lo Low (pH 4.5-6) 2.74 5.71 -33.91 2 2 1 34 242.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-6-quinolyl(2-thienyl)methanol (R)-6-quinolyl(2-thienyl)methanol

Find On: PubMed — Wikipedia — Google

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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) 2.74 5.3 -8.18 1 2 0 33 241.315 2 ↓
Lo Low (pH 4.5-6) 2.74 5.73 -33.84 2 2 1 34 242.323 2 ↓

Parameters Provided:

ring.id = 214773
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 = 214773 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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