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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-2-(2,4-difluorophenyl)vinyl]quinolin-8-ol 2-[(E)-2-(2,4-difluorophenyl)vin…

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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) 4.20 7.3 -15.31 1 2 0 33 283.277 2 ↓
Hi High (pH 8-9.5) 4.20 8.09 -60.36 0 2 -1 36 282.269 2 ↓

Analogs

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Popular Name: 2-[2-methoxy-4-[(E)-2-(6-methyl-2-quinolyl)vinyl]phenoxy]acetic 2-[2-methoxy-4-[(E)-2-(6-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) 3.71 10.32 -56.58 0 5 -1 71 348.378 6 ↓
Lo Low (pH 4.5-6) 3.71 10.53 -72.79 1 5 0 73 349.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(E)-2-(8-hydroxy-2-quinolyl)vinyl]benzonitrile 3-[(E)-2-(8-hydroxy-2-quinolyl)v…

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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) 3.86 7.58 -13.61 1 3 0 57 272.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-2-[2-(difluoromethoxy)-3-ethoxy-phenyl]vinyl]quinoline-4-carboxylic 2-[(E)-2-[2-(difluoromethoxy)-3-…

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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) 5.16 10.03 -55.84 0 5 -1 71 384.358 7 ↓

Analogs

6902621
6902621

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Popular Name: 2-[(E)-2-(2,4,5-trimethylphenyl)vinyl]quinoline-4-carboxylic 2-[(E)-2-(2,4,5-trimethylphenyl)…

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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) 5.60 11.22 -52.13 0 3 -1 53 316.38 3 ↓

Analogs

5336345
5336345

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Popular Name: trimethyl-[4-[(Z)-2-(2-quinolyl)vinyl]phenyl]ammonium trimethyl-[4-[(Z)-2-(2-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) 0.52 12.77 -31.25 0 2 1 13 289.402 3 ↓
Lo Low (pH 4.5-6) 0.52 13 -73.94 1 2 2 14 290.41 3 ↓

Analogs

12524076
12524076

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Popular Name: trimethyl-[4-[(Z)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl]ammonium trimethyl-[4-[(Z)-2-(1-methylqui…

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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) -2.46 13.99 -72.4 0 2 2 4 304.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[(E)-2-(2,3-dimethoxyphenyl)vinyl]quinoline 7-chloro-2-[(E)-2-(2,3-dimethoxy…

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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) 4.69 9.87 -12.94 0 3 0 31 325.795 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-[(E)-2-(2,4,5-trimethoxyphenyl)vinyl]quinoline 7-chloro-2-[(E)-2-(2,4,5-trimeth…

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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) 4.50 9.09 -13.09 0 4 0 41 355.821 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1-ethyl-6-methoxy-2-quinolyl)vinyl]-N,N-dimethyl-aniline 4-[2-(1-ethyl-6-methoxy-2-quinol…

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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) 1.92 2.78 -27 0 3 1 16 333.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[2-(1-ethyl-7-methoxy-2-quinolyl)vinyl]aniline N,N-diethyl-4-[2-(1-ethyl-7-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) 2.67 13.8 -47.19 1 3 0 18 362.517 7 ↓
Mid Mid (pH 6-8) 2.67 13.73 -25.81 0 3 1 16 361.509 7 ↓

Analogs

4168520
4168520

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Popular Name: [2-[2-(4-ethoxy-3-methoxy-phenyl)vinyl]-8-quinolyl] [2-[2-(4-ethoxy-3-methoxy-phenyl…

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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) 3.92 3.23 -18.24 0 5 0 57 363.413 7 ↓
Lo Low (pH 4.5-6) 3.92 3.38 -38.09 1 5 1 58 364.421 7 ↓

Analogs

4168517
4168517

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(3-ethoxy-4-methoxy-phenyl)vinyl]-8-quinolyl] [2-[2-(3-ethoxy-4-methoxy-phenyl…

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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) 3.92 3.23 -18.27 0 5 0 57 363.413 7 ↓
Lo Low (pH 4.5-6) 3.92 3.38 -38.2 1 5 1 58 364.421 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(3-ethoxy-2-methoxy-phenyl)vinyl]-8-quinolyl] [2-[2-(3-ethoxy-2-methoxy-phenyl…

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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) 3.91 3.45 -19.13 0 5 0 57 363.413 7 ↓
Lo Low (pH 4.5-6) 3.91 3.59 -35.18 1 5 1 58 364.421 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-2-(2,4-difluorophenyl)vinyl]quinoline-4-carboxylic 2-[(E)-2-(2,4-difluorophenyl)vin…

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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) 4.66 10.55 -48.27 0 3 -1 53 310.279 3 ↓
Lo Low (pH 4.5-6) 4.66 10.87 -41 1 3 0 54 311.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4,4-trifluoro-N-[2-[(E)-2-(8-hydroxy-2-quinolyl)vinyl]phenyl]butanamide 4,4,4-trifluoro-N-[2-[(E)-2-(8-h…

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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) 4.54 8.2 -13.45 2 4 0 62 386.373 6 ↓
Hi High (pH 8-9.5) 4.54 8.96 -54.1 1 4 -1 65 385.365 6 ↓
Lo Low (pH 4.5-6) 4.54 8.57 -38.79 3 4 1 63 387.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(E)-2-(8-hydroxy-2-quinolyl)vinyl]phenyl]-2-methylsulfonyl-acetamide N-[2-[(E)-2-(8-hydroxy-2-quinoly…

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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) 2.48 4.09 -29.19 2 6 0 96 382.441 5 ↓
Hi High (pH 8-9.5) 2.48 4.86 -64.92 1 6 -1 99 381.433 5 ↓
Lo Low (pH 4.5-6) 2.48 4.46 -57.37 3 6 1 98 383.449 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-2-(2,4-difluorophenyl)vinyl]quinoline 2-[(E)-2-(2,4-difluorophenyl)vin…

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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) 4.47 10.09 -10.21 0 1 0 13 267.278 2 ↓
Lo Low (pH 4.5-6) 4.47 10.41 -30.94 1 1 1 14 268.286 2 ↓

Parameters Provided:

ring.id = 81906
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 = 81906 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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