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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-cinnoline-3-carboxamide 4-(3-cyanoanilino)-8-methyl-6-me…

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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) 1.86 2.17 -17.21 3 8 0 139 381.417 4 ↓

Analogs

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Popular Name: 4-methyl-3-nitrocinnoline 4-methyl-3-nitrocinnoline

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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) 2.39 5.83 -13.43 0 5 0 72 189.174 1 ↓
Mid Mid (pH 6-8) 2.39 5.99 -27.71 1 5 1 73 190.182 1 ↓
Mid Mid (pH 6-8) 2.39 5.97 -33.12 1 5 1 73 190.182 1 ↓

Analogs

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Popular Name: 1-(cinnolin-4-yl)piperidin-4-ol 1-(cinnolin-4-yl)piperidin-4-ol

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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) 0.57 3.38 -8.12 1 4 0 49 229.283 1 ↓
Lo Low (pH 4.5-6) 0.57 3.54 -28.83 2 4 1 50 230.291 1 ↓

Analogs

6998290
6998290
6998309
6998309

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Popular Name: 8-chloro-4-(4-phenylpiperazin-1-yl)cinnoline 8-chloro-4-(4-phenylpiperazin-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) 3.77 7.03 -8.62 0 4 0 32 324.815 2 ↓
Mid Mid (pH 6-8) 3.77 7.16 -26.52 1 4 1 34 325.823 2 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-(6-methylcinnolin-4-yl)sulfanyl-acetamide N-(2-methoxyethyl)-2-(6-methylci…

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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) 1.39 3.73 -13.64 1 5 0 64 291.376 6 ↓

Analogs

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Popular Name: 3-cyclohexa-1,3-dien-1-ylcinnoline 3-cyclohexa-1,3-dien-1-ylcinnoline

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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 7.47 -9.55 0 2 0 26 208.264 1 ↓

Analogs

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Popular Name: N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide N-[2-methyl-5-[[3-(trifluorometh…

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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) 4.47 9.72 -23.08 2 6 0 84 450.42 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothian-3-yl]cinnolin-4-amine N-[(3R)-1,1-dioxothian-3-yl]cinn…

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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 2.12 -19.99 1 5 0 72 277.349 2 ↓
Mid Mid (pH 6-8) 1.76 2.26 -38.39 2 5 1 73 278.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothian-3-yl]cinnolin-4-amine N-[(3S)-1,1-dioxothian-3-yl]cinn…

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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 2.12 -19.99 1 5 0 72 277.349 2 ↓
Mid Mid (pH 6-8) 1.76 2.26 -38.39 2 5 1 73 278.357 2 ↓

Analogs

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Popular Name: N-[(1R)-1,4-dimethylpentyl]cinnolin-4-amine N-[(1R)-1,4-dimethylpentyl]cinno…

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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 7.13 -9.35 1 3 0 38 243.354 5 ↓
Mid Mid (pH 6-8) 4.22 7.27 -24.59 2 3 1 39 244.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,4-dimethylpentyl]cinnolin-4-amine N-[(1S)-1,4-dimethylpentyl]cinno…

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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 7.14 -9.35 1 3 0 38 243.354 5 ↓
Mid Mid (pH 6-8) 4.22 7.29 -24.59 2 3 1 39 244.362 5 ↓

Analogs

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Popular Name: 5-cinnolin-4-ylsulfanylfuran-2-carboxylic 5-cinnolin-4-ylsulfanylfuran-2-c…

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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) 2.53 5.34 -57.56 0 5 -1 79 271.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-3-(4-chlorophenyl)-1-(4-cinnolin-4-ylpiperazin-1-yl)propan-1-one (2R)-2-amino-3-(4-chlorophenyl)-…

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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) 2.10 7.99 -56.39 3 6 1 77 396.902 4 ↓
Mid Mid (pH 6-8) 2.10 7.7 -12.96 2 6 0 75 395.894 4 ↓
Lo Low (pH 4.5-6) 2.10 8.15 -95.51 4 6 2 78 397.91 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(benzimidazol-1-yl)propyl]-4-oxo-1H-cinnoline-3-carboxamide N-[3-(benzimidazol-1-yl)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) 2.53 7.83 -52.83 1 7 -1 96 346.37 5 ↓
Mid Mid (pH 6-8) 1.23 8.84 -25.1 2 7 0 93 347.378 5 ↓
Lo Low (pH 4.5-6) 1.23 9.33 -50.94 3 7 1 94 348.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dimethylprop-2-ynyl)cinnolin-4-amine N-(1,1-dimethylprop-2-ynyl)cinno…

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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 4.81 -10.99 1 3 0 38 211.268 2 ↓
Mid Mid (pH 6-8) 2.27 4.96 -23.6 2 3 1 39 212.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-cinnoline-3-carboxamide 4-oxo-N-([1,2,4]triazolo[4,3-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) 1.40 5.82 -55.17 1 8 -1 108 319.304 3 ↓
Mid Mid (pH 6-8) 0.10 6.85 -25.41 2 8 0 105 320.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cinnolin-4-ylsulfanylethanesulfonamide 2-cinnolin-4-ylsulfanylethanesul…

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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) 0.66 0.61 -19.51 2 5 0 86 269.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-but-3-ynylcinnolin-4-amine N-but-3-ynylcinnolin-4-amine

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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) 1.73 4.79 -11.27 1 3 0 38 197.241 3 ↓
Mid Mid (pH 6-8) 1.73 4.93 -27.06 2 3 1 39 198.249 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-CHLOROCINNOLINE-3-CARBOXYLIC ACID 7-CHLOROCINNOLINE-3-CARBOXYLIC ACID

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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) 2.09 4.83 -48.96 0 4 -1 66 207.596 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ETHYL 7-CHLOROCINNOLINE-3-CARBOXYLATE ETHYL 7-CHLOROCINNOLINE-3-CARBOX…

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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) 2.73 5.82 -8.22 0 4 0 52 236.658 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-difluoroanilino)-6,7-dimethoxy-cinnoline-3-carboxamide 4-(2,4-difluoroanilino)-6,7-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) 2.79 2.49 -9.46 3 7 0 99 360.32 5 ↓
Lo Low (pH 4.5-6) 2.79 2.63 -35.61 4 7 1 101 361.328 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-fluoro-4-methyl-anilino)-7-methoxy-6-(4-methylpiperazin-1-yl)cinnoline-3-carboxamide 4-(2-fluoro-4-methyl-anilino)-7-…

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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) 3.40 6.33 -43.54 4 8 1 98 425.488 5 ↓
Mid Mid (pH 6-8) 3.40 3.98 -8.63 3 8 0 97 424.48 5 ↓
Lo Low (pH 4.5-6) 3.40 6.47 -83.14 5 8 2 99 426.496 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-cinnolin-4-yloxy-aniline 4-chloro-3-cinnolin-4-yloxy-aniline

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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) 2.88 5.14 -10 2 4 0 61 271.707 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]cinnolin-4-amine N-[(1S)-2-cyclopropyl-1-methyl-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) 3.44 6.55 -9.44 1 3 0 38 227.311 4 ↓
Mid Mid (pH 6-8) 3.44 6.69 -24.48 2 3 1 39 228.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]cinnolin-4-amine N-[(1R)-2-cyclopropyl-1-methyl-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) 3.44 6.62 -9.44 1 3 0 38 227.311 4 ↓
Mid Mid (pH 6-8) 3.44 6.76 -24.55 2 3 1 39 228.319 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]cinnolin-4-amine N-[(1S)-1-(cyclopropylmethyl)pro…

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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) 3.98 6.8 -9.48 1 3 0 38 241.338 5 ↓
Mid Mid (pH 6-8) 3.98 6.94 -24.15 2 3 1 39 242.346 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]cinnolin-4-amine N-[(1R)-1-(cyclopropylmethyl)pro…

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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) 3.98 6.88 -9.52 1 3 0 38 241.338 5 ↓
Mid Mid (pH 6-8) 3.98 7.03 -24.26 2 3 1 39 242.346 5 ↓

Analogs

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Popular Name: 6-ethylcinnoline-3-carboxylic 6-ethylcinnoline-3-carboxylic

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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) 2.33 5.74 -53.06 0 4 -1 66 201.205 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]cinnolin-4-amine N-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 4.12 7.75 -8.6 1 3 0 38 255.365 2 ↓
Mid Mid (pH 6-8) 4.12 7.89 -24.35 2 3 1 39 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]cinnolin-4-amine N-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 4.12 7.12 -8.7 1 3 0 38 255.365 2 ↓
Mid Mid (pH 6-8) 4.12 7.27 -24.37 2 3 1 39 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]cinnolin-4-amine N-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 4.12 7.45 -8.72 1 3 0 38 255.365 2 ↓
Mid Mid (pH 6-8) 4.12 7.59 -24.28 2 3 1 39 256.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]cinnolin-4-amine N-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 4.12 7.21 -8.74 1 3 0 38 255.365 2 ↓
Mid Mid (pH 6-8) 4.12 7.36 -24.4 2 3 1 39 256.373 2 ↓

Analogs

41123484
41123484

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Popular Name: 4-piperazin-1-ylcinnoline 4-piperazin-1-ylcinnoline

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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) 0.84 4.49 -50.39 2 4 1 46 215.28 1 ↓
Hi High (pH 8-9.5) 0.84 3.03 -6.86 1 4 0 41 214.272 1 ↓
Mid Mid (pH 6-8) 0.84 4.63 -86.64 3 4 2 47 216.288 1 ↓

Analogs

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Popular Name: 2-(1-cinnolin-4-yl-4-piperidyl)-N-methyl-ethanamine 2-(1-cinnolin-4-yl-4-piperidyl)-…

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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) 2.56 7.18 -48.89 2 4 1 46 271.388 4 ↓
Mid Mid (pH 6-8) 2.56 7.34 -77.56 3 4 2 47 272.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-cinnolin-4-yl-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-cinnolin-4-yl-2-piperi…

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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 7.02 -41.96 2 4 1 46 271.388 4 ↓
Lo Low (pH 4.5-6) 2.50 7.15 -83.5 3 4 2 47 272.396 4 ↓
Lo Low (pH 4.5-6) 2.50 7.17 -86.69 3 4 2 47 272.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-cinnolin-4-yl-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-cinnolin-4-yl-2-piperi…

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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 6.82 -41.75 2 4 1 46 271.388 4 ↓
Lo Low (pH 4.5-6) 2.50 6.97 -83.3 3 4 2 47 272.396 4 ↓
Lo Low (pH 4.5-6) 2.50 6.98 -86.9 3 4 2 47 272.396 4 ↓

Analogs

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Popular Name: 5-(cinnolin-4-ylamino)pentanoic 5-(cinnolin-4-ylamino)pentanoic

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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) 1.59 5.76 -50.05 1 5 -1 78 244.274 6 ↓
Mid Mid (pH 6-8) 1.59 5.9 -53.48 2 5 0 79 245.282 6 ↓
Lo Low (pH 4.5-6) 1.59 3.93 -30.98 3 5 1 76 246.29 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]cinnolin-4-amine N-[(1S)-1-cyclopentylethyl]cinno…

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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) 4.08 6.91 -9.03 1 3 0 38 241.338 3 ↓
Mid Mid (pH 6-8) 4.08 7.06 -24.45 2 3 1 39 242.346 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]cinnolin-4-amine N-[(1R)-1-cyclopentylethyl]cinno…

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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) 4.08 6.72 -9.04 1 3 0 38 241.338 3 ↓
Mid Mid (pH 6-8) 4.08 6.87 -24.49 2 3 1 39 242.346 3 ↓

Analogs

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Popular Name: (4S)-4-(cinnolin-4-ylamino)pentanoic (4S)-4-(cinnolin-4-ylamino)penta…

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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) 2.09 5.77 -46.77 1 5 -1 78 244.274 5 ↓
Mid Mid (pH 6-8) 2.09 5.92 -48.92 2 5 0 79 245.282 5 ↓
Lo Low (pH 4.5-6) 2.09 3.94 -31.34 3 5 1 76 246.29 5 ↓

Analogs

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Popular Name: (4R)-4-(cinnolin-4-ylamino)pentanoic (4R)-4-(cinnolin-4-ylamino)penta…

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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) 2.09 5.76 -46.8 1 5 -1 78 244.274 5 ↓
Mid Mid (pH 6-8) 2.09 5.91 -48.89 2 5 0 79 245.282 5 ↓
Lo Low (pH 4.5-6) 2.09 3.93 -31.35 3 5 1 76 246.29 5 ↓

Analogs

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Popular Name: 4-(3-carbamoylpyrazol-1-yl)cinnoline-3-carboxylic 4-(3-carbamoylpyrazol-1-yl)cinno…

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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) 0.87 2.55 -59.66 2 8 -1 127 282.239 3 ↓

Analogs

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Popular Name: 4-(4-carbamoylpyrazol-1-yl)cinnoline-3-carboxylic 4-(4-carbamoylpyrazol-1-yl)cinno…

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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) 0.56 2.57 -63.52 2 8 -1 127 282.239 3 ↓

Analogs

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Popular Name: 4-anilinocinnoline-3-carbonitrile 4-anilinocinnoline-3-carbonitrile

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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) 3.84 6.75 -8.97 1 4 0 62 246.273 2 ↓

Analogs

41529616
41529616

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Popular Name: 4-(3-methylanilino)cinnoline-3-carbonitrile 4-(3-methylanilino)cinnoline-3-c…

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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) 4.27 7.42 -9.08 1 4 0 62 260.3 2 ↓

Analogs

41530164
41530164
41530170
41530170

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Popular Name: 4-(4-methylanilino)cinnoline-3-carbonitrile 4-(4-methylanilino)cinnoline-3-c…

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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) 4.29 7.43 -8.89 1 4 0 62 260.3 2 ↓

Analogs

41530173
41530173

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Popular Name: 4-(4-ethylanilino)cinnoline-3-carbonitrile 4-(4-ethylanilino)cinnoline-3-ca…

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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 8.19 -8.81 1 4 0 62 274.327 3 ↓

Analogs

41530176
41530176

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Popular Name: 4-(4-isopropylanilino)cinnoline-3-carbonitrile 4-(4-isopropylanilino)cinnoline-…

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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) 5.36 8.67 -8.65 1 4 0 62 288.354 3 ↓

Analogs

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Popular Name: 4-(3-fluoroanilino)cinnoline-3-carbonitrile 4-(3-fluoroanilino)cinnoline-3-c…

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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) 3.98 6.82 -9.11 1 4 0 62 264.263 2 ↓

Analogs

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Popular Name: 4-(4-fluoroanilino)cinnoline-3-carbonitrile 4-(4-fluoroanilino)cinnoline-3-c…

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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) 4.01 6.83 -9.79 1 4 0 62 264.263 2 ↓

Parameters Provided:

ring.id = 14690
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 = 14690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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