UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

896463
896463

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Popular Name: Carteolol hydrochloride Carteolol hydrochloride

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADRB1-2-E Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 1.9 0.58 Binding ≤ 1μM
ADRB1_HUMAN P08588 Beta-1 Adrenergic Receptor, Human 1.9 0.58 Binding ≤ 10μM

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) 1.96 2.8 -45.61 4 5 1 75 293.387 6 ↓

Analogs

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Popular Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (6-bromo-2,3-dihydro-1,4-benzodi…

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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) 3.36 8.32 -15.13 1 7 0 83 448.269 6 ↓

Analogs

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Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-ethyl]

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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 9.72 -15.01 1 6 0 82 373.792 7 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(2,5-dichlorophenyl)-2-oxo-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) 3.65 -5.21 -11.19 2 5 0 75 371.245 3 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(2-chloro-4-methyl-phenyl)-2-o…

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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) 3.42 4.79 -11.35 2 5 0 75 350.827 3 ↓
Mid Mid (pH 6-8) 3.42 4.85 -43.54 1 5 -1 77 349.819 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(4-chloro-2-fluoro-phenyl)-2-o…

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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 4.23 -40 1 5 -1 77 353.782 3 ↓
Mid Mid (pH 6-8) 3.14 4.16 -11.53 2 5 0 75 354.79 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(4-chloro-2-methoxy-5-methyl-p…

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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) 3.41 -4.77 -11.78 2 6 0 84 380.853 4 ↓

Analogs

6541146
6541146

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Popular Name: 6-[(2-methyl-3,6-diazabicyclo[4.3.0]nona-7,9-dien-3-yl)sulfonyl]-3,4-dihydro-1H-quinolin-2-one 6-[(2-methyl-3,6-diazabicyclo[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) 1.96 5.21 -13.88 1 6 0 71 345.424 2 ↓

Analogs

6541143
6541143

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Popular Name: 6-[(2-methyl-3,6-diazabicyclo[4.3.0]nona-7,9-dien-3-yl)sulfonyl]-3,4-dihydro-1H-quinolin-2-one 6-[(2-methyl-3,6-diazabicyclo[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) 1.96 -4.77 -13.66 1 6 0 71 345.424 2 ↓

Analogs

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Popular Name: N-(5-chloro-2-fluoro-phenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-(5-chloro-2-fluoro-phenyl)-2-o…

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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 4.23 -43.13 1 5 -1 77 353.782 3 ↓
Mid Mid (pH 6-8) 3.14 4.15 -11.68 2 5 0 75 354.79 3 ↓

Analogs

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Popular Name: 6-[2-(2,4-difluorophenyl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one 6-[2-(2,4-difluorophenyl)sulfany…

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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) 3.44 0.81 -15.64 1 3 0 46 333.359 4 ↓

Analogs

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Popular Name: (4S)-4-[[(1R)-1-cyclohexylethyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-[[(1R)-1-cyclohexylethyl]…

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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) 2.23 8.99 -45.77 2 3 1 37 287.427 3 ↓

Analogs

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Popular Name: (4S)-4-[[(1S)-1-cyclohexylethyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-[[(1S)-1-cyclohexylethyl]…

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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) 2.23 9.02 -46.19 2 3 1 37 287.427 3 ↓

Analogs

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Popular Name: (4R)-4-[[(1R)-1-cyclohexylethyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-[[(1R)-1-cyclohexylethyl]…

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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) 2.23 8.9 -40.14 2 3 1 37 287.427 3 ↓

Analogs

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Popular Name: (4R)-4-[[(1S)-1-cyclohexylethyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-[[(1S)-1-cyclohexylethyl]…

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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) 2.23 8.83 -40.29 2 3 1 37 287.427 3 ↓

Analogs

10499334
10499334

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Popular Name: 7-fluoro-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide 7-fluoro-2-oxo-N-[(1-phenylpyraz…

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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) 1.47 -0.66 -17.59 2 6 0 76 364.38 4 ↓

Analogs

10499332
10499332

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Popular Name: 7-fluoro-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide 7-fluoro-2-oxo-N-[(1-phenylpyraz…

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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) 1.47 -0.66 -17.57 2 6 0 76 364.38 4 ↓

Analogs

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Popular Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzoic 5-methoxy-4-(2-methoxyethoxy)-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) 1.92 -5.43 -52.28 2 10 -1 143 449.461 9 ↓
Hi High (pH 8-9.5) 1.92 -4.98 -121.96 1 10 -2 145 448.453 9 ↓

Analogs

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Popular Name: 2-oxo-N-[2-(2-thienyl)phenyl]-3,4-dihydro-1H-quinoline-6-sulfonamide 2-oxo-N-[2-(2-thienyl)phenyl]-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) 3.90 -4.94 -12.72 2 5 0 75 384.482 4 ↓
Hi High (pH 8-9.5) 3.90 -4.62 -42.55 1 5 -1 77 383.474 4 ↓

Analogs

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Popular Name: N-[5-(dimethylsulfamoyl)-2-ethylamino-phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[5-(dimethylsulfamoyl)-2-ethyl…

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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 -10.31 -18.76 3 9 0 124 452.558 7 ↓

Analogs

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Popular Name: N-[5-(diethylsulfamoyl)-2-propylamino-phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[5-(diethylsulfamoyl)-2-propyl…

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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) 3.10 -9.87 -18.61 3 9 0 124 494.639 10 ↓

Analogs

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Popular Name: N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[4-methyl-3-(trifluoromethyl)p…

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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) 3.64 -2.74 -12.38 2 5 0 75 384.379 4 ↓
Hi High (pH 8-9.5) 3.64 -2.16 -38.28 1 5 -1 77 383.371 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide N,N-dimethyl-4-[(2-oxo-3,4-dihyd…

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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) 1.34 -5.3 -19.53 2 7 0 95 373.434 4 ↓
Hi High (pH 8-9.5) 1.34 -4.72 -43.77 1 7 -1 97 372.426 4 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)-phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[4-(difluoromethoxy)-3-(4-meth…

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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) 4.76 -3.59 -16.19 2 7 0 93 474.485 7 ↓
Hi High (pH 8-9.5) 4.76 -3.01 -46.35 1 7 -1 95 473.477 7 ↓

Analogs

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Popular Name: N-[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[5-(diethylsulfamoyl)-2,3-dime…

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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) 3.19 -7.91 -18.79 2 8 0 112 465.597 7 ↓
Hi High (pH 8-9.5) 3.19 -7.45 -47.64 1 8 -1 114 464.589 7 ↓

Analogs

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Popular Name: N-isopropyl-2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide N-isopropyl-2-oxo-N-[(5-phenyl-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) 2.41 -6.13 -14.69 1 8 0 105 426.498 6 ↓

Analogs

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Popular Name: N-[4-(4-chlorophenoxy)butyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[4-(4-chlorophenoxy)butyl]-2-o…

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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) 3.57 -6.24 -15.03 2 6 0 84 408.907 8 ↓

Analogs

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Popular Name: 3-[benzyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]propanamide 3-[benzyl-[(2-oxo-3,4-dihydro-1H…

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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) 1.32 -7.06 -19.78 3 7 0 109 387.461 7 ↓

Analogs

423391
423391

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Popular Name: 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]indoline-5-sulfonamide 1-[(2-oxo-3,4-dihydro-1H-quinoli…

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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) 1.28 -10.79 -20.56 3 8 0 126 407.473 3 ↓

Analogs

10519077
10519077
2465083
2465083

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Popular Name: 2-methyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]indoline-5-sulfonamide 2-methyl-1-[(2-oxo-3,4-dihydro-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) 1.61 -10.45 -19.78 3 8 0 126 421.5 3 ↓

Analogs

10519076
10519076
2465083
2465083

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Popular Name: 2-methyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]indoline-5-sulfonamide 2-methyl-1-[(2-oxo-3,4-dihydro-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) 1.61 -10.47 -20.16 3 8 0 126 421.5 3 ↓

Analogs

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Popular Name: N-[[1-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)cyclopentyl]methyl]-2-oxo-3,4-dihydro-1H-quinol N-[[1-(2,5-dioxabicyclo[4.4.0]de…

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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) 3.26 -5.82 -17.18 2 7 0 93 442.537 5 ↓

Analogs

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Popular Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl (3-isopropyl-1,2,4-oxadiazol-5-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) 2.51 4.92 -11.44 1 7 0 94 315.329 5 ↓

Analogs

34955594
34955594

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Popular Name: N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[[(1S,2R)-2-methylcyclopropyl]…

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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) 2.15 3.04 -13.43 2 5 0 75 294.376 4 ↓

Analogs

34955594
34955594

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Popular Name: N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[[(1S,2S)-2-methylcyclopropyl]…

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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) 2.15 3.11 -13.55 2 5 0 75 294.376 4 ↓

Analogs

34955594
34955594

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Popular Name: N-[[(1R,2R)-2-methylcyclopropyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[[(1R,2R)-2-methylcyclopropyl]…

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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) 2.15 3.07 -13.92 2 5 0 75 294.376 4 ↓

Analogs

34955594
34955594

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Popular Name: N-[[(1R,2S)-2-methylcyclopropyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide N-[[(1R,2S)-2-methylcyclopropyl]…

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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) 2.15 3.01 -13.89 2 5 0 75 294.376 4 ↓

Analogs

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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) 2.31 4.26 -11.43 2 4 0 58 250.273 3 ↓

Analogs

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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) 0.91 2.69 -12.02 2 4 0 58 222.219 1 ↓

Analogs

34464459
34464459
34464460
34464460
37008088
37008088
37008089
37008089
37008090
37008090

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopropanecarboxamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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) 1.74 4.24 -12.32 2 4 0 58 248.257 2 ↓

Analogs

37794972
37794972
37794973
37794973
37794974
37794974
37794975
37794975
42167358
42167358

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopentanecarboxamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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) 2.66 5.31 -11.85 2 4 0 58 276.311 2 ↓

Analogs

43708955
43708955
43708956
43708956
25750011
25750011

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-methoxy-acetamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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) 0.86 2.7 -15.72 2 5 0 67 252.245 3 ↓

Analogs

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Popular Name: 2-ethoxy-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide 2-ethoxy-N-(6-fluoro-2-oxo-3,4-d…

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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) 1.23 3.74 -14.47 2 5 0 67 266.272 4 ↓

Analogs

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-(1H-indol-3-yl)propanamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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 7.26 -15.96 3 5 0 74 351.381 4 ↓

Analogs

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Popular Name: (1R)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohex-3-ene-1-carboxamide (1R)-N-(6-fluoro-2-oxo-3,4-dihyd…

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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) 2.67 5.86 -11.85 2 4 0 58 288.322 2 ↓

Analogs

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Popular Name: (1S)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohex-3-ene-1-carboxamide (1S)-N-(6-fluoro-2-oxo-3,4-dihyd…

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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) 2.67 5.87 -11.64 2 4 0 58 288.322 2 ↓

Analogs

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)furan-3-carboxamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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 3.7 -15.68 2 5 0 71 274.251 2 ↓

Analogs

34464459
34464459
34464460
34464460
34590083
34590083
37008088
37008088
37008089
37008089

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,2-dimethyl-propanamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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) 2.58 4.66 -11.86 2 4 0 58 264.3 2 ↓

Analogs

34464459
34464459
34464460
34464460
34590083
34590083
37008088
37008088
37008089
37008089

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3,3-dimethyl-butanamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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 5.31 -11.21 2 4 0 58 278.327 3 ↓

Analogs

34590083
34590083
37008102
37008102
37032521
37032521
37032522
37032522
37032530
37032530

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Popular Name: N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)hexanamide N-(6-fluoro-2-oxo-3,4-dihydro-1H…

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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) 3.32 5.75 -12.3 2 4 0 58 278.327 5 ↓

Parameters Provided:

ring.id = 106
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 = 106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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