UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-chloro-5-[(5-chloro-8-quinolyl)oxymethyl]aniline 2-chloro-5-[(5-chloro-8-quinolyl…

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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) 4.57 7.1 -8.69 2 3 0 48 319.191 3 ↓

Analogs

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Popular Name: 4-chloro-3-(8-quinolyloxymethyl)aniline 4-chloro-3-(8-quinolyloxymethyl)…

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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) 3.23 6.69 -9.54 2 3 0 48 284.746 3 ↓
Lo Low (pH 4.5-6) 3.23 7.17 -31.71 3 3 1 49 285.754 3 ↓

Analogs

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Popular Name: 4-chloro-3-[(2-methyl-8-quinolyl)oxymethyl]aniline 4-chloro-3-[(2-methyl-8-quinolyl…

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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) 3.28 7.3 -9.83 2 3 0 48 298.773 3 ↓
Mid Mid (pH 6-8) 3.28 7.74 -28.43 3 3 1 49 299.781 3 ↓

Analogs

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Popular Name: 3-[(2-methyl-8-quinolyl)oxymethyl]aniline 3-[(2-methyl-8-quinolyl)oxymethy…

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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) 2.65 6.71 -11.37 2 3 0 48 264.328 3 ↓
Mid Mid (pH 6-8) 2.65 7.15 -26.58 3 3 1 49 265.336 3 ↓

Analogs

14250801
14250801

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Popular Name: (2S)-2-[(5,7-dibromo-8-quinolyl)oxy]-N,N-dimethyl-2-phenyl-acetamide (2S)-2-[(5,7-dibromo-8-quinolyl)…

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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) 4.24 10.94 -12.05 0 4 0 42 464.157 4 ↓

Analogs

14250799
14250799

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Popular Name: (2R)-2-[(5,7-dibromo-8-quinolyl)oxy]-N,N-dimethyl-2-phenyl-acetamide (2R)-2-[(5,7-dibromo-8-quinolyl)…

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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) 4.24 10.91 -12.26 0 4 0 42 464.157 4 ↓

Analogs

33724508
33724508
33724510
33724510
33724511
33724511
34418958
34418958

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Popular Name: 4-[(2-methyl-8-quinolyl)oxymethyl]benzonitrile 4-[(2-methyl-8-quinolyl)oxymethy…

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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) 3.35 9.23 -12.19 0 3 0 46 274.323 3 ↓
Lo Low (pH 4.5-6) 3.35 9.58 -32.41 1 3 1 47 275.331 3 ↓

Analogs

34418958
34418958

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Popular Name: 2-methyl-8-[(4-nitrophenyl)methoxy]quinoline 2-methyl-8-[(4-nitrophenyl)metho…

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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) 3.56 9.51 -13.34 0 5 0 68 294.31 4 ↓
Lo Low (pH 4.5-6) 3.56 9.86 -34.93 1 5 1 69 295.318 4 ↓

Analogs

14358764
14358764

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Popular Name: 1-[4-methoxy-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]ethanone 1-[4-methoxy-3-[(2-methyl-8-quin…

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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) 3.48 8.78 -19.05 0 4 0 48 321.376 5 ↓
Lo Low (pH 4.5-6) 3.48 9.13 -28.37 1 4 1 50 322.384 5 ↓

Analogs

43458583
43458583

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Popular Name: 8-[(3-fluoro-4-methoxy-phenyl)methoxy]-2-methyl-quinoline 8-[(3-fluoro-4-methoxy-phenyl)me…

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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) 3.75 8.21 -13.31 0 3 0 31 297.329 4 ↓
Mid Mid (pH 6-8) 3.75 8.66 -31.08 1 3 1 33 298.337 4 ↓

Analogs

17079268
17079268

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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) 4.22 10.76 -13.75 0 6 0 81 388.423 8 ↓
Lo Low (pH 4.5-6) 4.22 11.25 -38.88 1 6 1 83 389.431 8 ↓

Analogs

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Popular Name: N,N-dimethyl-3-(8-quinolyloxymethyl)benzenesulfonamide N,N-dimethyl-3-(8-quinolyloxymet…

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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 6.21 -15.47 0 5 0 60 342.42 5 ↓
Lo Low (pH 4.5-6) 2.84 6.65 -38.73 1 5 1 61 343.428 5 ↓

Analogs

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Popular Name: 8-benzyloxyquinoline-5-sulfonamide 8-benzyloxyquinoline-5-sulfonamide

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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) 2.50 3.21 -14.72 2 5 0 82 314.366 4 ↓

Analogs

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Popular Name: 8-[(2,5-dimethylphenyl)methoxy]quinolin-5-amine 8-[(2,5-dimethylphenyl)methoxy]q…

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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) 4.11 7.52 -11.34 2 3 0 48 278.355 3 ↓
Mid Mid (pH 6-8) 4.11 8.01 -30.65 3 3 1 49 279.363 3 ↓

Analogs

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Popular Name: 8-[(2-chloro-6-fluoro-phenyl)methoxy]quinolin-5-amine 8-[(2-chloro-6-fluoro-phenyl)met…

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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 6.64 -12.64 2 3 0 48 302.736 3 ↓
Mid Mid (pH 6-8) 4.03 7.12 -28.89 3 3 1 49 303.744 3 ↓

Parameters Provided:

ring.id = 124158
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 = 124158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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