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Analogs

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Popular Name: 2-methyl-5-[(1R)-1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3,4-oxadiazole 2-methyl-5-[(1R)-1-[(3R)-3-methy…

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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) 1.78 4.45 -7.87 0 4 0 42 257.337 2 ↓
Lo Low (pH 4.5-6) 1.78 4.66 -29.34 1 4 1 43 258.345 2 ↓

Analogs

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Popular Name: 2-methyl-5-[(1S)-1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3,4-oxadiazole 2-methyl-5-[(1S)-1-[(3R)-3-methy…

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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) 1.78 4.21 -7.98 0 4 0 42 257.337 2 ↓
Lo Low (pH 4.5-6) 1.78 4.65 -34.28 1 4 1 43 258.345 2 ↓

Analogs

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Popular Name: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(5-methyl-1,3,4-oxadiazol-2-y…

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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) 0.04 0.84 -9.37 2 5 0 68 244.298 2 ↓
Mid Mid (pH 6-8) 0.04 1.17 -32.75 3 5 1 69 245.306 2 ↓

Analogs

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Popular Name: 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(5-tert-butyl-1,3,4-oxadiazol…

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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) 1.76 2.75 -8.64 2 5 0 68 286.379 3 ↓
Mid Mid (pH 6-8) 1.76 3.06 -31.72 3 5 1 69 287.387 3 ↓

Analogs

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Popular Name: 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(5-ethyl-1,3,4-oxadiazol-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) 0.61 1.6 -8.91 2 5 0 68 258.325 3 ↓
Mid Mid (pH 6-8) 0.61 2.01 -32.61 3 5 1 69 259.333 3 ↓

Analogs

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Popular Name: (3R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-methyl-1,3,4-oxadiazo…

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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) -0.67 0.23 -49.71 3 5 1 70 245.306 2 ↓
Hi High (pH 8-9.5) -0.67 -0.09 -9.39 2 5 0 68 244.298 2 ↓

Analogs

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Popular Name: (3S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-methyl-1,3,4-oxadiazo…

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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) -0.67 0.2 -53.73 3 5 1 70 245.306 2 ↓
Hi High (pH 8-9.5) -0.67 -0.12 -9.21 2 5 0 68 244.298 2 ↓

Analogs

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Popular Name: (3R)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-tert-butyl-1,3,4-oxad…

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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) 1.06 2.12 -48.71 3 5 1 70 287.387 3 ↓
Hi High (pH 8-9.5) 1.06 1.81 -8.68 2 5 0 68 286.379 3 ↓

Analogs

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Popular Name: (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-tert-butyl-1,3,4-oxad…

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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) 1.06 2.11 -52.81 3 5 1 70 287.387 3 ↓
Hi High (pH 8-9.5) 1.06 1.79 -8.47 2 5 0 68 286.379 3 ↓

Analogs

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Popular Name: (3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(5-ethyl-1,3,4-oxadiazol…

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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) -0.09 0.98 -49.35 3 5 1 70 259.333 3 ↓
Hi High (pH 8-9.5) -0.09 0.67 -8.91 2 5 0 68 258.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(5-ethyl-1,3,4-oxadiazol…

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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) -0.09 0.97 -53.32 3 5 1 70 259.333 3 ↓
Hi High (pH 8-9.5) -0.09 0.65 -8.71 2 5 0 68 258.325 3 ↓

Analogs

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Popular Name: 2-methyl-5-[(1R)-1-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3,4-oxadiazole 2-methyl-5-[(1R)-1-[(4S)-4-methy…

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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) 1.63 4.1 -7.99 0 4 0 42 257.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[(1S)-1-[(4S)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]-1,3,4-oxadiazole 2-methyl-5-[(1S)-1-[(4S)-4-methy…

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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) 1.63 4.29 -7.89 0 4 0 42 257.337 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 161625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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