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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: 6-[(R)-amino-(2-methyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(2-methyl-3-furyl)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) 1.31 5.88 -56.64 3 4 1 61 271.34 2 ↓
Hi High (pH 8-9.5) 1.31 5.55 -10.09 2 4 0 59 270.332 2 ↓

Analogs

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Popular Name: 6-[(S)-amino-(2-methyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(2-methyl-3-furyl)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) 1.31 5.84 -56.95 3 4 1 61 271.34 2 ↓
Hi High (pH 8-9.5) 1.31 5.5 -10.18 2 4 0 59 270.332 2 ↓

Analogs

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Popular Name: 6-[(R)-amino-(2,5-dimethyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino-(2,5-dimethyl-3-fur…

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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 6.59 -56.73 3 4 1 61 285.367 2 ↓
Hi High (pH 8-9.5) 1.53 6.26 -10.24 2 4 0 59 284.359 2 ↓

Analogs

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Popular Name: 6-[(S)-amino-(2,5-dimethyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino-(2,5-dimethyl-3-fur…

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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 6.73 -57.49 3 4 1 61 285.367 2 ↓
Hi High (pH 8-9.5) 1.53 6.39 -10.53 2 4 0 59 284.359 2 ↓

Analogs

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Popular Name: 6-[(S)-amino(3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-amino(3-furyl)methyl]-1-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) 1.09 5.18 -56.83 3 4 1 61 257.313 2 ↓
Hi High (pH 8-9.5) 1.09 4.84 -9.36 2 4 0 59 256.305 2 ↓

Analogs

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Popular Name: 6-[(R)-amino(3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-amino(3-furyl)methyl]-1-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) 1.09 5.18 -56.67 3 4 1 61 257.313 2 ↓
Hi High (pH 8-9.5) 1.09 4.85 -9.47 2 4 0 59 256.305 2 ↓

Analogs

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Popular Name: 1-methyl-6-[(R)-methylamino-(2-methyl-3-furyl)methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(R)-methylamino-(2-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) 1.68 7.6 -50.55 2 4 1 50 285.367 3 ↓
Hi High (pH 8-9.5) 1.68 6.57 -9.44 1 4 0 45 284.359 3 ↓

Analogs

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Popular Name: 1-methyl-6-[(S)-methylamino-(2-methyl-3-furyl)methyl]-3,4-dihydroquinolin-2-one 1-methyl-6-[(S)-methylamino-(2-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) 1.68 7.64 -50.69 2 4 1 50 285.367 3 ↓
Hi High (pH 8-9.5) 1.68 6.54 -9.33 1 4 0 45 284.359 3 ↓

Analogs

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Popular Name: 6-[(S)-3-furyl(methylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-3-furyl(methylamino)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) 1.46 6.89 -50.95 2 4 1 50 271.34 3 ↓
Hi High (pH 8-9.5) 1.46 5.74 -8.59 1 4 0 45 270.332 3 ↓

Analogs

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Popular Name: 6-[(R)-3-furyl(methylamino)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-3-furyl(methylamino)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) 1.46 6.93 -50.87 2 4 1 50 271.34 3 ↓
Hi High (pH 8-9.5) 1.46 5.79 -8.43 1 4 0 45 270.332 3 ↓

Analogs

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Popular Name: 6-[(S)-ethylamino(3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-ethylamino(3-furyl)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) 1.84 7.78 -49.24 2 4 1 50 285.367 4 ↓
Hi High (pH 8-9.5) 1.84 6.72 -8.35 1 4 0 45 284.359 4 ↓

Analogs

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Popular Name: 6-[(R)-ethylamino(3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-ethylamino(3-furyl)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) 1.84 7.78 -48.98 2 4 1 50 285.367 4 ↓
Hi High (pH 8-9.5) 1.84 6.7 -9.02 1 4 0 45 284.359 4 ↓

Analogs

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Popular Name: 6-[(R)-hydroxy-(2-methyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-hydroxy-(2-methyl-3-furyl…

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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) 1.26 5.42 -11.36 1 4 0 54 271.316 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-hydroxy-(2-methyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-hydroxy-(2-methyl-3-furyl…

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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) 1.26 5.44 -11.36 1 4 0 54 271.316 2 ↓

Analogs

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Popular Name: 6-[(R)-(2,5-dimethyl-3-furyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-(2,5-dimethyl-3-furyl)-hy…

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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) 1.49 6.15 -11.59 1 4 0 54 285.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-(2,5-dimethyl-3-furyl)-hydroxy-methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-(2,5-dimethyl-3-furyl)-hy…

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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) 1.49 6.28 -11.57 1 4 0 54 285.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-3-furyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-3-furyl(hydroxy)methyl]-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) 1.04 4.76 -10.86 1 4 0 54 257.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-3-furyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-3-furyl(hydroxy)methyl]-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) 1.04 4.77 -10.88 1 4 0 54 257.289 2 ↓

Analogs

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Popular Name: 6-[(R)-chloro-(2-methyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro-(2-methyl-3-furyl)…

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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) 2.50 8.99 -10.38 0 3 0 33 289.762 2 ↓

Analogs

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Popular Name: 6-[(S)-chloro-(2-methyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro-(2-methyl-3-furyl)…

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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) 2.50 8.99 -10.23 0 3 0 33 289.762 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-(2,5-dimethyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro-(2,5-dimethyl-3-fu…

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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) 2.72 9.79 -10.59 0 3 0 33 303.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-(2,5-dimethyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro-(2,5-dimethyl-3-fu…

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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) 2.72 9.76 -10.49 0 3 0 33 303.789 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro(3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-chloro(3-furyl)methyl]-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) 2.28 8.12 -9.28 0 3 0 33 275.735 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro(3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-chloro(3-furyl)methyl]-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) 2.28 8.12 -9.27 0 3 0 33 275.735 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo-(2-methyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo-(2-methyl-3-furyl)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) 2.63 9.07 -10.12 0 3 0 33 334.213 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo-(2-methyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo-(2-methyl-3-furyl)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) 2.63 9.07 -9.94 0 3 0 33 334.213 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo-(2,5-dimethyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo-(2,5-dimethyl-3-fur…

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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) 2.86 9.87 -10.24 0 3 0 33 348.24 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo-(2,5-dimethyl-3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo-(2,5-dimethyl-3-fur…

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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) 2.86 9.84 -10.16 0 3 0 33 348.24 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo(3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(S)-bromo(3-furyl)methyl]-1-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) 2.41 8.21 -9.04 0 3 0 33 320.186 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo(3-furyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one 6-[(R)-bromo(3-furyl)methyl]-1-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) 2.41 8.21 -9.09 0 3 0 33 320.186 2 ↓

Parameters Provided:

ring.id = 275857
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 = 275857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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