UCSF
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Analogs

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Popular Name: (4E)-4-[[2-(difluoromethoxy)-1-naphthyl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoline-10-carb (4E)-4-[[2-(difluoromethoxy)-1-n…

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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) 5.78 13.65 -49.8 1 5 0 67 460.48 5 ↓

Analogs

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Popular Name: (4Z)-4-[(2-chloroimidazo[3,2-a]pyridin-3-yl)methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoline-10- (4Z)-4-[(2-chloroimidazo[3,2-a]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) 4.46 12.75 -67.3 1 6 0 75 418.884 3 ↓

Analogs

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Popular Name: (4Z)-4-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b] (4Z)-4-[[1-(2-cyanoethyl)-3-(4-f…

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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) 3.73 14.53 -64.41 1 7 0 99 481.531 6 ↓

Analogs

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Popular Name: (4Z)-4-[[3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b] (4Z)-4-[[3-(3-chlorophenyl)-1-(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) 4.22 14.97 -64.93 1 7 0 99 497.986 6 ↓

Analogs

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Popular Name: (4Z)-2-ethyl-4-[(2-methylimidazo[3,2-a]pyridin-3-yl)methylene]-1,3-dihydropyrido[4,5-b]quinoline-10- (4Z)-2-ethyl-4-[(2-methylimidazo…

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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) 3.88 13.19 -64.25 1 6 0 75 398.466 3 ↓
Mid Mid (pH 6-8) 3.88 13.6 -92.51 2 6 1 76 399.474 3 ↓

Analogs

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Popular Name: (4Z)-4-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoline-10-c (4Z)-4-[[5-(1,3-benzothiazol-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) 5.79 13.82 -68.71 1 6 0 83 467.55 4 ↓

Analogs

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Popular Name: (4Z)-4-[[1-(2-cyanoethyl)-3-(3,4-difluorophenyl)pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydropyrido[4, (4Z)-4-[[1-(2-cyanoethyl)-3-(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) 3.82 14.58 -67.75 1 7 0 99 499.521 6 ↓

Analogs

13060112
13060112
9665780
9665780

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Popular Name: (4E)-4-[[4-(difluoromethoxy)-3,5-dimethoxy-phenyl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoli (4E)-4-[[4-(difluoromethoxy)-3,5…

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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) 4.42 11.05 -57.29 1 7 0 85 470.472 7 ↓

Analogs

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Popular Name: (4E)-4-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methylene]-2-ethyl-1,3-dihydropyrido[4,3-b]quinoline (4E)-4-[(1-butyl-5-chloro-3-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) 4.89 12.23 -49.68 1 6 0 75 438.959 6 ↓

Analogs

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Popular Name: (4E)-4-[[2-(difluoromethoxy)-3-ethoxy-phenyl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoline-10 (4E)-4-[[2-(difluoromethoxy)-3-e…

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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) 4.81 11.96 -56.42 1 6 0 76 454.473 7 ↓

Analogs

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Popular Name: (4Z)-4-[[2-[(2,3-dimethylphenyl)amino]thiazol-4-yl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinol (4Z)-4-[[2-[(2,3-dimethylphenyl)…

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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) 6.14 15.19 -62.33 2 6 0 82 470.598 5 ↓

Analogs

12532329
12532329

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Popular Name: (4E)-4-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoline-10-carb (4E)-4-[[5-(2,5-dichlorophenyl)-…

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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) 6.52 14.49 -50.45 1 5 0 71 479.363 4 ↓

Analogs

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Popular Name: (4E)-4-[[2-(acetyl-ethyl-amino)thiazol-4-yl]methylene]-2-benzyl-1,3-dihydropyrido[4,3-b]quinoline-10 (4E)-4-[[2-(acetyl-ethyl-amino)t…

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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) 4.21 13.8 -70.84 0 7 -1 89 497.6 6 ↓
Lo Low (pH 4.5-6) 4.21 14.08 -53.5 1 7 0 91 498.608 6 ↓
Lo Low (pH 4.5-6) 4.21 16.34 -67.19 2 7 1 92 499.616 6 ↓

Analogs

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Popular Name: (4E)-4-[[4-[(2-fluorophenyl)methoxy]phenyl]methylene]-2-methyl-1,3-dihydropyrido[4,5-b]quinoline-10- (4E)-4-[[4-[(2-fluorophenyl)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) 5.63 14.21 -56.09 1 5 0 67 454.501 5 ↓

Analogs

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Popular Name: (4E)-2-methyl-4-[[4-(trifluoromethylsulfanyl)phenyl]methylene]-1,3-dihydropyrido[4,5-b]quinoline-10- (4E)-2-methyl-4-[[4-(trifluorome…

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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) 7.84 12.26 -54.93 1 4 0 57 430.451 4 ↓

Analogs

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Popular Name: (4E)-4-[[4-[(3-fluorophenyl)methoxy]phenyl]methylene]-2-methyl-1,3-dihydropyrido[4,5-b]quinoline-10- (4E)-4-[[4-[(3-fluorophenyl)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) 5.65 14.13 -58.4 1 5 0 67 454.501 5 ↓

Analogs

12565566
12565566

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Popular Name: (4E)-2-methyl-4-[[4-(trifluoromethoxy)phenyl]methylene]-1,3-dihydropyrido[4,5-b]quinoline-10-carboxy (4E)-2-methyl-4-[[4-(trifluorome…

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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) 4.83 10.57 -55.36 1 5 0 67 414.383 4 ↓

Analogs

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Popular Name: (4E)-2-ethyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylene]-1,3-dihydropyrido[4,5-b]quinoline-10-ca (4E)-2-ethyl-4-[(6-fluoro-4H-1,3…

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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) 3.93 10.43 -53.47 1 6 0 76 420.44 3 ↓

Analogs

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Popular Name: (4Z)-2-ethyl-4-[[2-(4-methoxyphenyl)thiazol-4-yl]methylene]-1,3-dihydropyrido[4,5-b]quinoline-10-car (4Z)-2-ethyl-4-[[2-(4-methoxyphe…

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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) 5.20 12.76 -61.71 1 6 0 80 457.555 5 ↓

Analogs

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Popular Name: (4E)-4-[[2-(acetyl-ethyl-amino)thiazol-4-yl]methylene]-2-ethyl-1,3-dihydropyrido[4,5-b]quinoline-10- (4E)-4-[[2-(acetyl-ethyl-amino)t…

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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 12.13 -50.79 1 7 0 91 436.537 5 ↓

Analogs

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Popular Name: (4Z)-2-ethyl-4-[[2-(4-fluorophenyl)thiazol-4-yl]methylene]-1,3-dihydropyrido[4,5-b]quinoline-10-carb (4Z)-2-ethyl-4-[[2-(4-fluorophen…

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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) 5.31 13.53 -61.89 1 5 0 70 445.519 4 ↓

Analogs

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Popular Name: (4E)-2-ethyl-4-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-1,3-dihydrobenzo[b][1,6]naphthyridine (4E)-2-ethyl-4-[[1-phenyl-3-(2-t…

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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) 5.16 16.28 -56.94 1 6 0 75 492.604 5 ↓
Mid Mid (pH 6-8) 5.16 14.01 -60.55 0 6 -1 74 491.596 5 ↓

Analogs

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Popular Name: (4E)-2-ethyl-4-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-1,3-dihydrobenzo[b][1,6]naphthyridine (4E)-2-ethyl-4-[[1-phenyl-3-(3-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) 4.31 15.24 -57.96 1 7 0 88 487.563 5 ↓
Mid Mid (pH 6-8) 4.31 12.97 -61.32 0 7 -1 87 486.555 5 ↓
Lo Low (pH 4.5-6) 4.31 15.74 -92.7 2 7 1 89 488.571 5 ↓

Analogs

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Popular Name: (4E)-4-[[5-chloro-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydrobenzo[b][1, (4E)-4-[[5-chloro-1-(3-chlorophe…

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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) 5.59 14.85 -46.92 1 6 0 75 493.394 4 ↓
Mid Mid (pH 6-8) 5.59 12.6 -56.67 0 6 -1 74 492.386 4 ↓

Analogs

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Popular Name: (4E)-4-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydroben (4E)-4-[[5-chloro-1-[(4-fluoroph…

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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) 5.21 14.92 -49.51 1 6 0 75 490.966 5 ↓
Mid Mid (pH 6-8) 5.21 12.67 -57.16 0 6 -1 74 489.958 5 ↓

Analogs

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Popular Name: (4E)-2-ethyl-4-[(7-methoxybenzofuran-2-yl)methylene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carbox (4E)-2-ethyl-4-[(7-methoxybenzof…

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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) 4.63 12.53 -46.02 1 6 0 80 414.461 4 ↓
Hi High (pH 8-9.5) 4.63 10.3 -60.4 0 6 -1 79 413.453 4 ↓

Analogs

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Popular Name: (4E)-4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydrobenzo[b] (4E)-4-[[1-[(2-chlorophenyl)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) 5.10 15.38 -51.31 1 6 0 75 487.003 5 ↓
Mid Mid (pH 6-8) 5.10 13.12 -60.5 0 6 -1 74 485.995 5 ↓

Analogs

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Popular Name: (4Z)-2-ethyl-4-[(2-hydroxy-3-quinolyl)methylene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic (4Z)-2-ethyl-4-[(2-hydroxy-3-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) 3.21 9.97 -68.73 1 6 -1 89 410.453 3 ↓
Mid Mid (pH 6-8) 3.21 12.36 -55.45 2 6 0 90 411.461 3 ↓

Analogs

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Popular Name: (4Z)-2-ethyl-4-[(4-isopropyl-3-nitro-phenyl)methylene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carb (4Z)-2-ethyl-4-[(4-isopropyl-3-n…

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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) 5.16 15.8 -65.01 1 7 0 103 431.492 5 ↓
Hi High (pH 8-9.5) 5.16 13.51 -54.67 0 7 -1 102 430.484 5 ↓

Parameters Provided:

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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 = 123650 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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