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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: (R)-(2-methylpyrazol-3-yl)-(6-quinolyl)methanol (R)-(2-methylpyrazol-3-yl)-(6-qu…

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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) 1.53 3.79 -12.19 1 4 0 51 239.278 2 ↓
Lo Low (pH 4.5-6) 1.53 4.22 -38.87 2 4 1 52 240.286 2 ↓

Analogs

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Popular Name: (S)-(2-methylpyrazol-3-yl)-(6-quinolyl)methanol (S)-(2-methylpyrazol-3-yl)-(6-qu…

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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) 1.53 3.71 -12.16 1 4 0 51 239.278 2 ↓
Lo Low (pH 4.5-6) 1.53 4.15 -39.28 2 4 1 52 240.286 2 ↓

Analogs

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Popular Name: (R)-(2-methylpyrazol-3-yl)-(6-quinolyl)methanamine (R)-(2-methylpyrazol-3-yl)-(6-qu…

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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) 1.57 4.16 -59.24 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.57 3.83 -11.17 2 4 0 57 238.294 2 ↓

Analogs

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Popular Name: (S)-(2-methylpyrazol-3-yl)-(6-quinolyl)methanamine (S)-(2-methylpyrazol-3-yl)-(6-qu…

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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) 1.57 4.12 -58.67 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.57 3.79 -11.09 2 4 0 57 238.294 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(2-methylpyrazol-3-yl)-1-(6-quinolyl)methanamine (1S)-N-methyl-1-(2-methylpyrazol…

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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) 1.94 5.93 -52.31 2 4 1 47 253.329 3 ↓
Mid Mid (pH 6-8) 1.94 4.8 -10.38 1 4 0 43 252.321 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-methylpyrazol-3-yl)-1-(6-quinolyl)methanamine (1R)-N-methyl-1-(2-methylpyrazol…

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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) 1.94 5.87 -51.88 2 4 1 47 253.329 3 ↓
Mid Mid (pH 6-8) 1.94 4.77 -10.2 1 4 0 43 252.321 3 ↓

Analogs

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Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-(6-quinolyl)methyl]ethanamine N-[(S)-(2-methylpyrazol-3-yl)-(6…

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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) 2.32 6.63 -50.5 2 4 1 47 267.356 4 ↓
Hi High (pH 8-9.5) 2.32 5.8 -10.11 1 4 0 43 266.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(6-quinolyl)methyl]ethanamine N-[(R)-(2-methylpyrazol-3-yl)-(6…

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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) 2.32 6.67 -49.88 2 4 1 47 267.356 4 ↓
Hi High (pH 8-9.5) 2.32 5.69 -10.36 1 4 0 43 266.348 4 ↓

Analogs

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Popular Name: N-[(S)-(2-methylpyrazol-3-yl)-(6-quinolyl)methyl]propan-1-amine N-[(S)-(2-methylpyrazol-3-yl)-(6…

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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) 2.82 7.37 -51.31 2 4 1 47 281.383 5 ↓
Hi High (pH 8-9.5) 2.82 6.56 -10.02 1 4 0 43 280.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methylpyrazol-3-yl)-(6-quinolyl)methyl]propan-1-amine N-[(R)-(2-methylpyrazol-3-yl)-(6…

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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) 2.82 7.43 -50.62 2 4 1 47 281.383 5 ↓
Hi High (pH 8-9.5) 2.82 6.44 -10.25 1 4 0 43 280.375 5 ↓

Analogs

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Popular Name: (R)-(2-propylpyrazol-3-yl)-(6-quinolyl)methanol (R)-(2-propylpyrazol-3-yl)-(6-qu…

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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) 2.40 5.23 -11.49 1 4 0 51 267.332 4 ↓
Lo Low (pH 4.5-6) 2.40 5.65 -38.92 2 4 1 52 268.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-propylpyrazol-3-yl)-(6-quinolyl)methanol (S)-(2-propylpyrazol-3-yl)-(6-qu…

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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) 2.40 5.33 -11.54 1 4 0 51 267.332 4 ↓
Lo Low (pH 4.5-6) 2.40 5.76 -39.25 2 4 1 52 268.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethylpyrazol-3-yl)-(6-quinolyl)methanol (R)-(2-ethylpyrazol-3-yl)-(6-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) 1.90 4.46 -11.85 1 4 0 51 253.305 3 ↓
Lo Low (pH 4.5-6) 1.90 4.89 -39 2 4 1 52 254.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylpyrazol-3-yl)-(6-quinolyl)methanol (S)-(2-ethylpyrazol-3-yl)-(6-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) 1.90 4.57 -11.85 1 4 0 51 253.305 3 ↓
Lo Low (pH 4.5-6) 1.90 5.01 -39.29 2 4 1 52 254.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-propylpyrazol-3-yl)-(6-quinolyl)methanamine (R)-(2-propylpyrazol-3-yl)-(6-qu…

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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) 2.45 5.64 -58.98 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.45 5.3 -10.65 2 4 0 57 266.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-propylpyrazol-3-yl)-(6-quinolyl)methanamine (S)-(2-propylpyrazol-3-yl)-(6-qu…

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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) 2.45 5.73 -58.56 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.45 5.4 -10.45 2 4 0 57 266.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-ethylpyrazol-3-yl)-(6-quinolyl)methanamine (R)-(2-ethylpyrazol-3-yl)-(6-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) 1.94 4.88 -58.97 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 1.94 4.56 -10.99 2 4 0 57 252.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylpyrazol-3-yl)-(6-quinolyl)methanamine (S)-(2-ethylpyrazol-3-yl)-(6-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) 1.94 4.97 -58.52 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 1.94 4.65 -10.79 2 4 0 57 252.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(2-propylpyrazol-3-yl)-1-(6-quinolyl)methanamine (1R)-N-methyl-1-(2-propylpyrazol…

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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) 2.82 7.38 -52.15 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 2.82 6.31 -9.89 1 4 0 43 280.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-1-(6-quinolyl)methanamine (1S)-N-methyl-1-(2-propylpyrazol…

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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) 2.82 7.49 -51.68 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 2.82 6.38 -9.57 1 4 0 43 280.375 5 ↓

Analogs

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Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-(6-quinolyl)methanamine (1R)-1-(2-ethylpyrazol-3-yl)-N-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) 2.32 6.63 -52.22 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 2.32 5.58 -10.21 1 4 0 43 266.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-(6-quinolyl)methanamine (1S)-1-(2-ethylpyrazol-3-yl)-N-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) 2.32 6.75 -51.66 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 2.32 5.63 -9.95 1 4 0 43 266.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-(6-quinolyl)methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-(6-…

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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) 2.70 7.07 -50.1 2 4 1 47 281.383 5 ↓
Hi High (pH 8-9.5) 2.70 6.42 -9.91 1 4 0 43 280.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-(6-quinolyl)methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-(6-…

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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) 2.70 7.53 -49.71 2 4 1 47 281.383 5 ↓
Hi High (pH 8-9.5) 2.70 6.56 -9.66 1 4 0 43 280.375 5 ↓

Parameters Provided:

ring.id = 342858
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 = 342858 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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