UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-quinoline-4-carboxamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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) 3.45 8.82 -48.56 2 5 1 56 364.469 6 ↓
Mid Mid (pH 6-8) 3.45 6.25 -12.42 1 5 0 54 363.461 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-quinoline-4-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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) 3.45 8.8 -48.05 2 5 1 56 364.469 6 ↓
Mid Mid (pH 6-8) 3.45 6.68 -10.37 1 5 0 54 363.461 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.98 10.6 -14.05 1 5 0 68 380.419 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.98 10.59 -13.7 1 5 0 68 380.419 7 ↓

Analogs

4459339
4459339
4459342
4459342

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Popular Name: 6-fluoro-2-methyl-N-phenethyl-cinchoninamide 6-fluoro-2-methyl-N-phenethyl-ci…

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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) 2.78 8.45 -12.83 1 3 0 42 308.356 4 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide 2-chloro-N-[2-(4-methoxyphenyl)e…

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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) 4.25 7.49 -11.43 1 4 0 51 340.81 5 ↓

Analogs

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Popular Name: 2-ethyl-3-methyl-N-phenethyl-quinoline-4-carboxamide 2-ethyl-3-methyl-N-phenethyl-qui…

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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) 4.56 9.28 -11.05 1 3 0 42 318.42 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,6-dimethyl-quinoline-4-carboxamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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) 3.88 9.47 -48.43 2 5 1 56 378.496 6 ↓
Mid Mid (pH 6-8) 3.88 7.68 -12.21 1 5 0 54 377.488 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,6-dimethyl-quinoline-4-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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) 3.88 9.45 -48.16 2 5 1 56 378.496 6 ↓
Mid Mid (pH 6-8) 3.88 6.83 -11.21 1 5 0 54 377.488 6 ↓

Analogs

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Popular Name: N-allyl-N-phenethyl-quinoline-4-carboxamide N-allyl-N-phenethyl-quinoline-4-…

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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) 3.59 11.09 -10.14 0 3 0 33 316.404 6 ↓

Parameters Provided:

ring.id = 111500
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 = 111500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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