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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)-(1-methylimidazol-2-yl)-(2-quinolyl)methanamine (R)-(1-methylimidazol-2-yl)-(2-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) 1.14 5.28 -29.76 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.14 4.61 -9.76 2 4 0 57 238.294 2 ↓
Lo Low (pH 4.5-6) 1.14 4.87 -48.34 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: (S)-(1-methylimidazol-2-yl)-(2-quinolyl)methanamine (S)-(1-methylimidazol-2-yl)-(2-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) 1.14 4.96 -29.08 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.14 4.37 -13.47 2 4 0 57 238.294 2 ↓
Lo Low (pH 4.5-6) 1.14 4.71 -45.86 3 4 1 58 239.302 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(1-methylimidazol-2-yl)-1-(2-quinolyl)methanamine (1S)-N-methyl-1-(1-methylimidazo…

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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) 1.51 5.59 -27.77 2 4 1 44 253.329 3 ↓
Mid Mid (pH 6-8) 1.51 5.04 -15.06 1 4 0 43 252.321 3 ↓
Mid Mid (pH 6-8) 1.51 6.83 -38.09 2 4 1 47 253.329 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(1-methylimidazol-2-yl)-1-(2-quinolyl)methanamine (1R)-N-methyl-1-(1-methylimidazo…

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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) 1.51 6.49 -28.62 2 4 1 44 253.329 3 ↓
Mid Mid (pH 6-8) 1.51 5.93 -9.65 1 4 0 43 252.321 3 ↓
Mid Mid (pH 6-8) 1.51 6.45 -37.92 2 4 1 47 253.329 3 ↓

Analogs

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Popular Name: N-[(S)-(1-methylimidazol-2-yl)-(2-quinolyl)methyl]ethanamine N-[(S)-(1-methylimidazol-2-yl)-(…

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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) 1.89 6.51 -27.85 2 4 1 44 267.356 4 ↓
Mid Mid (pH 6-8) 1.89 5.97 -14.81 1 4 0 43 266.348 4 ↓
Mid Mid (pH 6-8) 1.89 7.67 -36.71 2 4 1 47 267.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-methylimidazol-2-yl)-(2-quinolyl)methyl]ethanamine N-[(R)-(1-methylimidazol-2-yl)-(…

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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) 1.89 7.42 -28.64 2 4 1 44 267.356 4 ↓
Mid Mid (pH 6-8) 1.89 6.85 -9.42 1 4 0 43 266.348 4 ↓
Mid Mid (pH 6-8) 1.89 7.28 -36.45 2 4 1 47 267.356 4 ↓

Analogs

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

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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) 2.39 7.27 -27.99 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 2.39 6.73 -14.67 1 4 0 43 280.375 5 ↓
Mid Mid (pH 6-8) 2.39 8.08 -37.03 2 4 1 47 281.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.39 8.2 -28.93 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 2.39 7.59 -9.23 1 4 0 43 280.375 5 ↓
Mid Mid (pH 6-8) 2.39 8.03 -36.75 2 4 1 47 281.383 5 ↓

Analogs

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Popular Name: (R)-(1-propylimidazol-2-yl)-(2-quinolyl)methanamine (R)-(1-propylimidazol-2-yl)-(2-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) 2.02 6.81 -28.34 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.02 6.26 -8.9 2 4 0 57 266.348 4 ↓
Lo Low (pH 4.5-6) 2.02 6.52 -47.59 3 4 1 58 267.356 4 ↓

Analogs

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Popular Name: (S)-(1-propylimidazol-2-yl)-(2-quinolyl)methanamine (S)-(1-propylimidazol-2-yl)-(2-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) 2.02 6.49 -29.61 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.02 6.02 -12.54 2 4 0 57 266.348 4 ↓
Lo Low (pH 4.5-6) 2.02 6.36 -45.15 3 4 1 58 267.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-ethylimidazol-2-yl)-(2-quinolyl)methanamine (R)-(1-ethylimidazol-2-yl)-(2-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) 1.51 6.06 -28.3 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 1.51 5.46 -10.8 2 4 0 57 252.321 3 ↓
Lo Low (pH 4.5-6) 1.51 5.78 -47.68 3 4 1 58 253.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylimidazol-2-yl)-(2-quinolyl)methanamine (S)-(1-ethylimidazol-2-yl)-(2-qu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.51 5.73 -29.67 3 4 1 58 253.329 3 ↓
Mid Mid (pH 6-8) 1.51 5.26 -12.51 2 4 0 57 252.321 3 ↓
Lo Low (pH 4.5-6) 1.51 5.6 -45.27 3 4 1 58 253.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(1-propylimidazol-2-yl)-1-(2-quinolyl)methanamine (1R)-N-methyl-1-(1-propylimidazo…

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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) 2.39 7.4 -26.61 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 2.39 8.16 -42.16 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 2.39 6.81 -10.57 1 4 0 43 280.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(1-propylimidazol-2-yl)-1-(2-quinolyl)methanamine (1S)-N-methyl-1-(1-propylimidazo…

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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) 2.39 7.13 -29.15 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 2.39 8.03 -40.52 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 2.39 6.69 -13.7 1 4 0 43 280.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-ethylimidazol-2-yl)-N-methyl-1-(2-quinolyl)methanamine (1R)-1-(1-ethylimidazol-2-yl)-N-…

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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) 1.89 6.63 -26.6 2 4 1 44 267.356 4 ↓
Mid Mid (pH 6-8) 1.89 7.41 -42.33 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 1.89 6.06 -10.96 1 4 0 43 266.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-ethylimidazol-2-yl)-N-methyl-1-(2-quinolyl)methanamine (1S)-1-(1-ethylimidazol-2-yl)-N-…

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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) 1.89 6.37 -29.24 2 4 1 44 267.356 4 ↓
Mid Mid (pH 6-8) 1.89 7.27 -40.72 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 1.89 5.93 -14.21 1 4 0 43 266.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-(2-quinolyl)methyl]ethanamine N-[(S)-(1-ethylimidazol-2-yl)-(2…

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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) 2.26 7.3 -27.14 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 2.26 8.41 -36.56 2 4 1 47 281.383 5 ↓
Mid Mid (pH 6-8) 2.26 6.89 -14.38 1 4 0 43 280.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-ethylimidazol-2-yl)-(2-quinolyl)methyl]ethanamine N-[(R)-(1-ethylimidazol-2-yl)-(2…

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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) 2.26 8.34 -27.87 2 4 1 44 281.383 5 ↓
Mid Mid (pH 6-8) 2.26 7.77 -8.94 1 4 0 43 280.375 5 ↓
Mid Mid (pH 6-8) 2.26 8.17 -35.44 2 4 1 47 281.383 5 ↓

Parameters Provided:

ring.id = 345873
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 = 345873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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