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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: N-methyl-1-[5-[[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]isoxazol-3-yl]methanamine N-methyl-1-[5-[[(2R)-2-methyl-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) 2.80 7.38 -42.15 2 4 1 46 272.372 4 ↓

Analogs

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Popular Name: N-methyl-1-[5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]isoxazol-3-yl]methanamine N-methyl-1-[5-[[(2S)-2-methyl-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) 2.80 7.29 -43.51 2 4 1 46 272.372 4 ↓

Analogs

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Popular Name: N-[[5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[[(2S)-2-methyl-3,4-dihydr…

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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) 3.18 8.14 -42.53 2 4 1 46 286.399 5 ↓

Analogs

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Popular Name: N-[[5-[[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[[(2R)-2-methyl-3,4-dihydr…

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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) 3.18 8.22 -41.21 2 4 1 46 286.399 5 ↓

Analogs

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Popular Name: [5-[[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]isoxazol-3-yl]methanamine [5-[[(2R)-2-methyl-3,4-dihydro-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) 2.43 5.51 -47.79 3 4 1 57 258.345 3 ↓

Analogs

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Popular Name: [5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]isoxazol-3-yl]methanamine [5-[[(2S)-2-methyl-3,4-dihydro-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) 2.43 5.41 -49.14 3 4 1 57 258.345 3 ↓

Analogs

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Popular Name: 1-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)isoxazol-3-yl]-N-methyl-methanamine 1-[5-(3,4-dihydro-2H-quinolin-1-…

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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) 2.47 7.01 -46.01 2 4 1 46 258.345 4 ↓

Analogs

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Popular Name: N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(3,4-dihydro-2H-quinolin-1…

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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) 2.85 7.87 -45.11 2 4 1 46 272.372 5 ↓

Analogs

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Popular Name: N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)isoxazol-3-yl]methyl]propan-1-amine N-[[5-(3,4-dihydro-2H-quinolin-1…

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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 8.62 -45.96 2 4 1 46 286.399 6 ↓

Analogs

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Popular Name: N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine N-[[5-(3,4-dihydro-2H-quinolin-1…

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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) 3.14 8.4 -43.76 2 4 1 46 286.399 5 ↓

Analogs

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Popular Name: [5-(3,4-dihydro-2H-quinolin-1-ylmethyl)isoxazol-3-yl]methanamine [5-(3,4-dihydro-2H-quinolin-1-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) 2.10 5.13 -51.63 3 4 1 57 244.318 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]isoxazol-3-yl]methanamine N-methyl-1-[5-[(6-methyl-3,4-dih…

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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) 2.90 7.67 -46.02 2 4 1 46 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[(6-methyl-3,4-dihydro-2H-…

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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) 3.27 8.55 -45.06 2 4 1 46 286.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]isoxazol-3-yl]methanamine [5-[(6-methyl-3,4-dihydro-2H-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) 2.52 5.8 -51.64 3 4 1 57 258.345 3 ↓

Analogs

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Popular Name: 1-[(3-methylisoxazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(3-methylisoxazol-5-yl)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) 1.95 5.62 -9.91 2 4 0 55 243.31 2 ↓
Mid Mid (pH 6-8) 1.95 5.97 -34.58 3 4 1 56 244.318 2 ↓

Analogs

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Popular Name: 1-(isoxazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine 1-(isoxazol-5-ylmethyl)-3,4-dihy…

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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) 1.73 5.04 -9.55 2 4 0 55 229.283 2 ↓
Mid Mid (pH 6-8) 1.73 5.44 -35.08 3 4 1 56 230.291 2 ↓

Analogs

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Popular Name: (3R)-1-[(3-methylisoxazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(3-methylisoxazol-5-yl)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) 1.24 5.03 -58.26 3 4 1 57 244.318 2 ↓
Hi High (pH 8-9.5) 1.24 4.72 -9.03 2 4 0 55 243.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3-methylisoxazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(3-methylisoxazol-5-yl)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) 1.24 4.99 -60.28 3 4 1 57 244.318 2 ↓
Hi High (pH 8-9.5) 1.24 4.66 -9.36 2 4 0 55 243.31 2 ↓

Analogs

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Popular Name: (3S)-1-(isoxazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine (3S)-1-(isoxazol-5-ylmethyl)-3,4…

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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) 1.02 4.38 -59.76 3 4 1 57 230.291 2 ↓
Hi High (pH 8-9.5) 1.02 4.07 -8.98 2 4 0 55 229.283 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(isoxazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine (3R)-1-(isoxazol-5-ylmethyl)-3,4…

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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) 1.02 4.45 -57.83 3 4 1 57 230.291 2 ↓
Hi High (pH 8-9.5) 1.02 4.14 -8.71 2 4 0 55 229.283 2 ↓

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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 = 228615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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