UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-4-carboxamide N,2-dimethyl-N-[(4-methylsulfany…

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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 10.39 -12.52 0 3 0 33 336.46 4 ↓

Analogs

540928
540928
4459339
4459339
4459342
4459342

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Popular Name: 6-fluoro-2-methyl-N-[(1S)-1-phenylethyl]cinchoninamide 6-fluoro-2-methyl-N-[(1S)-1-phen…

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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) 2.93 8.52 -10.89 1 3 0 42 308.356 3 ↓

Analogs

4459339
4459339
4459342
4459342
540927
540927

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Popular Name: 6-fluoro-2-methyl-N-[(1R)-1-phenylethyl]cinchoninamide 6-fluoro-2-methyl-N-[(1R)-1-phen…

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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) 2.93 8.52 -11.03 1 3 0 42 308.356 3 ↓

Analogs

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Popular Name: N-[[4-(isopropylsulfamoylmethyl)phenyl]methyl]-2-methyl-quinoline-4-carboxamide N-[[4-(isopropylsulfamoylmethyl)…

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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 5.93 -19.04 2 6 0 88 411.527 7 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-3-methyl-quinoline-4-carboxamide N-[(3,4-dimethoxyphenyl)methyl]-…

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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) 3.80 7.71 -13.21 1 5 0 60 364.445 6 ↓

Analogs

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Popular Name: 2-ethyl-3-methyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide 2-ethyl-3-methyl-N-[(1S)-1-pheny…

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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) 4.71 9.36 -9.47 1 3 0 42 318.42 4 ↓

Analogs

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Popular Name: 2-ethyl-3-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide 2-ethyl-3-methyl-N-[(1R)-1-pheny…

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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) 4.71 9.35 -9.68 1 3 0 42 318.42 4 ↓

Analogs

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Popular Name: N-benzyl-N,2,6-trimethyl-quinoline-4-carboxamide N-benzyl-N,2,6-trimethyl-quinoli…

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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) 3.40 10.02 -12.05 0 3 0 33 304.393 3 ↓

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-2,8-dimethyl-quinoline-4-carboxamide N-[(1S)-2-hydroxy-1-phenyl-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) 3.16 6.12 -10.48 2 4 0 62 320.392 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.84 9.09 -14.42 1 5 0 68 366.392 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.84 9.12 -14.58 1 5 0 68 366.392 5 ↓

Analogs

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Popular Name: N-[(3-methoxy-4-methylsulfanyl-phenyl)methyl]-N-methyl-quinoline-4-carboxamide N-[(3-methoxy-4-methylsulfanyl-p…

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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) 2.96 9.08 -15.4 0 4 0 42 352.459 5 ↓

Parameters Provided:

ring.id = 40722
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 = 40722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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