UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 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) 2.83 2.52 -41.98 1 5 1 53 349.838 5 ↓

Analogs

12002999
12002999

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Popular Name: (3R)-1-[[1-(2-chloroprop-2-enyl)-6,7-dimethoxy-2-oxo-3-quinolyl]methyl]piperidine-3-carboxamide (3R)-1-[[1-(2-chloroprop-2-enyl)…

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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 -0.98 -46.24 3 7 1 88 420.917 7 ↓

Analogs

12002995
12002995

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Popular Name: (3S)-1-[[1-(2-chloroprop-2-enyl)-6,7-dimethoxy-2-oxo-3-quinolyl]methyl]piperidine-3-carboxamide (3S)-1-[[1-(2-chloroprop-2-enyl)…

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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 -0.74 -45.32 3 7 1 88 420.917 7 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-piperidyl]acetamide 2-[(2R)-1-[(6-ethoxy-2-oxo-1H-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) 2.42 4.7 -43.8 4 6 1 90 344.435 6 ↓
Hi High (pH 8-9.5) 2.42 2.49 -16.11 3 6 0 88 343.427 6 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-piperidyl]acetamide 2-[(2S)-1-[(6-ethoxy-2-oxo-1H-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) 2.42 4.78 -39.38 4 6 1 90 344.435 6 ↓
Hi High (pH 8-9.5) 2.42 2.56 -12.1 3 6 0 88 343.427 6 ↓

Analogs

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Popular Name: 3-[[4-hydroxy-4-(hydroxymethyl)-1-piperidyl]methyl]-7-methyl-1H-quinolin-2-one 3-[[4-hydroxy-4-(hydroxymethyl)-…

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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) 0.51 2.39 -38.88 4 5 1 78 303.382 3 ↓
Hi High (pH 8-9.5) 0.51 0.15 -12.14 3 5 0 77 302.374 3 ↓

Analogs

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Popular Name: N-[2-[(2R)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-piperidyl]ethyl]acetamide N-[2-[(2R)-1-[(6,8-dimethyl-2-ox…

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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) 2.00 8.14 -45.42 3 5 1 66 356.49 5 ↓
Hi High (pH 8-9.5) 2.00 5.98 -15.98 2 5 0 65 355.482 5 ↓

Analogs

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Popular Name: N-[2-[(2S)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-piperidyl]ethyl]acetamide N-[2-[(2S)-1-[(6,8-dimethyl-2-ox…

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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) 2.00 8.2 -43.24 3 5 1 66 356.49 5 ↓
Hi High (pH 8-9.5) 2.00 6.08 -13.17 2 5 0 65 355.482 5 ↓

Analogs

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Popular Name: 7-chloro-3-[[(2S)-2-(2-methoxyethyl)-1-piperidyl]methyl]-1H-quinolin-2-one 7-chloro-3-[[(2S)-2-(2-methoxyet…

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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) 2.70 7.99 -40.95 2 4 1 47 335.855 5 ↓
Hi High (pH 8-9.5) 2.70 5.84 -11.19 1 4 0 45 334.847 5 ↓

Analogs

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Popular Name: 7-chloro-3-[[(2R)-2-(2-methoxyethyl)-1-piperidyl]methyl]-1H-quinolin-2-one 7-chloro-3-[[(2R)-2-(2-methoxyet…

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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) 2.70 7.96 -37.01 2 4 1 47 335.855 5 ↓
Hi High (pH 8-9.5) 2.70 5.84 -8.73 1 4 0 45 334.847 5 ↓

Analogs

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Popular Name: 3-[[(3S)-3-ethyl-3-hydroxy-1-piperidyl]methyl]-6-methyl-1H-quinolin-2-one 3-[[(3S)-3-ethyl-3-hydroxy-1-pip…

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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 6.19 -32.59 3 4 1 58 301.41 3 ↓
Hi High (pH 8-9.5) 2.02 3.89 -9.18 2 4 0 56 300.402 3 ↓

Analogs

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Popular Name: 3-[[(3R)-3-ethyl-3-hydroxy-1-piperidyl]methyl]-6-methyl-1H-quinolin-2-one 3-[[(3R)-3-ethyl-3-hydroxy-1-pip…

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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 6.29 -36.88 3 4 1 58 301.41 3 ↓
Hi High (pH 8-9.5) 2.02 4.01 -12.3 2 4 0 56 300.402 3 ↓

Analogs

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Popular Name: 3-[(4-hydroxy-1-piperidyl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one 3-[(4-hydroxy-1-piperidyl)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) 0.03 3.26 -40.96 3 7 1 85 349.407 5 ↓
Hi High (pH 8-9.5) 0.03 1.03 -12.34 2 7 0 84 348.399 5 ↓

Analogs

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Popular Name: 7-methoxy-3-[[(2S)-2-(2-methoxyethyl)-1-piperidyl]methyl]-1H-quinolin-2-one 7-methoxy-3-[[(2S)-2-(2-methoxye…

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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) 2.08 6.79 -40.47 2 5 1 56 331.436 6 ↓
Hi High (pH 8-9.5) 2.08 4.64 -12.86 1 5 0 55 330.428 6 ↓

Analogs

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Popular Name: 7-methoxy-3-[[(2R)-2-(2-methoxyethyl)-1-piperidyl]methyl]-1H-quinolin-2-one 7-methoxy-3-[[(2R)-2-(2-methoxye…

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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) 2.08 6.75 -36.47 2 5 1 56 331.436 6 ↓
Hi High (pH 8-9.5) 2.08 4.63 -10.53 1 5 0 55 330.428 6 ↓

Analogs

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Popular Name: 2-[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-piperidyl]acetamide 2-[1-[(7-methyl-2-oxo-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) 1.27 5.38 -40.12 4 5 1 80 314.409 4 ↓

Analogs

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Popular Name: N-[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-piperidyl]acetamide N-[1-[(7-methyl-2-oxo-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) 0.85 6.29 -44.28 3 5 1 66 314.409 3 ↓
Hi High (pH 8-9.5) 0.85 4.02 -14.89 2 5 0 65 313.401 3 ↓

Analogs

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Popular Name: 3-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-5,6,7-trimethoxy-1H-quinolin-2-one 3-[[(3S)-3-(hydroxymethyl)-1-pip…

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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 3.9 -40.41 3 7 1 85 363.434 6 ↓
Hi High (pH 8-9.5) 1.14 1.68 -12.31 2 7 0 84 362.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-3-(hydroxymethyl)-1-piperidyl]methyl]-5,6,7-trimethoxy-1H-quinolin-2-one 3-[[(3R)-3-(hydroxymethyl)-1-pip…

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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 3.86 -40.02 3 7 1 85 363.434 6 ↓
Hi High (pH 8-9.5) 1.14 1.63 -11.5 2 7 0 84 362.426 6 ↓

Analogs

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Popular Name: 3-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-7-methylsulfanyl-1H-quinolin-2-one 3-[[(3S)-3-(hydroxymethyl)-1-pip…

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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) 1.44 5.62 -42.29 3 4 1 58 319.45 4 ↓
Hi High (pH 8-9.5) 1.44 3.39 -13.02 2 4 0 56 318.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-3-(hydroxymethyl)-1-piperidyl]methyl]-7-methylsulfanyl-1H-quinolin-2-one 3-[[(3R)-3-(hydroxymethyl)-1-pip…

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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) 1.44 5.56 -41.18 3 4 1 58 319.45 4 ↓
Hi High (pH 8-9.5) 1.44 3.33 -11.54 2 4 0 56 318.442 4 ↓

Analogs

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Popular Name: 3-[(4-hydroxy-1-piperidyl)methyl]-7-methyl-1H-quinolin-2-one 3-[(4-hydroxy-1-piperidyl)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) 0.34 4.64 -40.02 3 4 1 58 273.356 2 ↓
Hi High (pH 8-9.5) 0.34 2.42 -11.86 2 4 0 56 272.348 2 ↓

Analogs

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Popular Name: 7-chloro-3-[[(3R)-3-(3-hydroxypropyl)-1-piperidyl]methyl]-1H-quinolin-2-one 7-chloro-3-[[(3R)-3-(3-hydroxypr…

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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 6.51 -43.25 3 4 1 58 335.855 5 ↓

Analogs

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Popular Name: 7-chloro-3-[[(3S)-3-(3-hydroxypropyl)-1-piperidyl]methyl]-1H-quinolin-2-one 7-chloro-3-[[(3S)-3-(3-hydroxypr…

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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 6.45 -42.89 3 4 1 58 335.855 5 ↓

Analogs

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Popular Name: 3-[[4-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]methyl]-7-methyl-1H-quinolin-2-one 3-[[4-(1-hydroxy-1-methyl-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) 2.27 6.57 -37.86 3 4 1 58 315.437 3 ↓

Analogs

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Popular Name: 3-[[(3S,4R)-3-ethyl-4-hydroxy-4-methyl-1-piperidyl]methyl]-7-fluoro-1H-quinolin-2-one 3-[[(3S,4R)-3-ethyl-4-hydroxy-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) 2.21 5.89 -40.65 3 4 1 58 319.4 3 ↓

Analogs

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Popular Name: 3-[(4-ethoxy-1-piperidyl)methyl]-7-methoxy-1H-quinolin-2-one 3-[(4-ethoxy-1-piperidyl)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) 0.94 6.6 -42.72 2 5 1 56 317.409 5 ↓
Hi High (pH 8-9.5) 0.94 4.38 -12.85 1 5 0 55 316.401 5 ↓

Analogs

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Popular Name: 3-[[(3S)-3-hydroxy-1-piperidyl]methyl]-7-methyl-1H-quinolin-2-one 3-[[(3S)-3-hydroxy-1-piperidyl]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) 1.07 4.63 -36.76 3 4 1 58 273.356 2 ↓
Hi High (pH 8-9.5) 1.07 2.4 -11.17 2 4 0 56 272.348 2 ↓

Analogs

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Popular Name: 3-[[(3R)-3-hydroxy-1-piperidyl]methyl]-7-methyl-1H-quinolin-2-one 3-[[(3R)-3-hydroxy-1-piperidyl]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) 1.07 4.58 -36.6 3 4 1 58 273.356 2 ↓
Hi High (pH 8-9.5) 1.07 2.34 -10.09 2 4 0 56 272.348 2 ↓

Analogs

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Popular Name: 3-[(4-allyl-4-methoxy-1-piperidyl)methyl]-7-methyl-1H-quinolin-2-one 3-[(4-allyl-4-methoxy-1-piperidy…

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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) 2.68 8.7 -37.65 2 4 1 47 327.448 5 ↓
Hi High (pH 8-9.5) 2.68 6.46 -9.88 1 4 0 45 326.44 5 ↓

Analogs

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Popular Name: 3-[(3R)-1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]-3-piperidyl]propanamide 3-[(3R)-1-[(7-methylsulfanyl-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) 1.35 6.41 -45.15 4 5 1 80 360.503 6 ↓

Analogs

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Popular Name: 3-[(3S)-1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]-3-piperidyl]propanamide 3-[(3S)-1-[(7-methylsulfanyl-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) 1.35 6.35 -45.75 4 5 1 80 360.503 6 ↓

Analogs

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Popular Name: 3-[[(2R)-2-(methoxymethyl)-1-piperidyl]methyl]-7-methyl-1H-quinolin-2-one 3-[[(2R)-2-(methoxymethyl)-1-pip…

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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) 2.20 7.64 -30.2 2 4 1 47 301.41 4 ↓
Hi High (pH 8-9.5) 2.20 5.41 -8.89 1 4 0 45 300.402 4 ↓

Analogs

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Popular Name: 3-[[(2S)-2-(methoxymethyl)-1-piperidyl]methyl]-7-methyl-1H-quinolin-2-one 3-[[(2S)-2-(methoxymethyl)-1-pip…

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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) 2.20 7.71 -36.12 2 4 1 47 301.41 4 ↓
Hi High (pH 8-9.5) 2.20 5.48 -11.21 1 4 0 45 300.402 4 ↓

Analogs

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Popular Name: (3S)-1-[(5,6,7-trimethoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-3-carboxamide (3S)-1-[(5,6,7-trimethoxy-2-oxo-…

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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) 0.50 3.25 -41.59 4 8 1 108 376.433 6 ↓
Hi High (pH 8-9.5) 0.50 1.02 -15.69 3 8 0 107 375.425 6 ↓

Analogs

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Popular Name: (3R)-1-[(5,6,7-trimethoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidine-3-carboxamide (3R)-1-[(5,6,7-trimethoxy-2-oxo-…

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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) 0.50 3.21 -41.83 4 8 1 108 376.433 6 ↓
Hi High (pH 8-9.5) 0.50 0.97 -15.2 3 8 0 107 375.425 6 ↓

Analogs

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Popular Name: N,N-diethyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxamide N,N-diethyl-1-[(7-methyl-2-oxo-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) 2.19 9.76 -46.47 2 5 1 58 356.49 5 ↓
Hi High (pH 8-9.5) 2.19 7.51 -15.03 1 5 0 56 355.482 5 ↓

Analogs

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Popular Name: N-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-piperidyl]methanesulfonamide N-[1-[(6,8-dimethyl-2-oxo-1H-qui…

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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) 1.24 4.65 -53.4 3 6 1 83 364.491 4 ↓
Hi High (pH 8-9.5) 1.24 2.39 -18.08 2 6 0 82 363.483 4 ↓

Parameters Provided:

ring.id = 67893
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 = 67893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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