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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: ethyl 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) 2.75 7.71 -15.71 1 7 0 101 385.445 8 ↓

Analogs

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Popular Name: ethyl 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) 3.15 9.08 -12.56 1 6 0 92 369.446 7 ↓

Analogs

7149762
7149762

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Popular Name: ethyl 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) 2.59 10.11 -11.85 1 6 0 92 383.473 7 ↓

Analogs

7149736
7149736

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Popular Name: ethyl 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) 3.12 9.31 -12.44 1 6 0 92 369.446 7 ↓

Analogs

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Popular Name: ethyl 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) 2.78 7.69 -13.41 1 7 0 101 385.445 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 2.88 2.14 -12.91 1 6 0 92 373.409 7 ↓

Analogs

25460363
25460363

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Popular Name: ethyl 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) 3.59 2.19 -11.71 1 6 0 92 383.473 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 2.73 7.83 -11.69 1 7 0 101 385.445 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 3.40 8.93 -12.41 1 6 0 92 389.864 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 2.62 8.79 -15.16 1 7 0 109 397.456 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 2.68 1.92 -16.69 1 9 0 137 400.416 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 2.63 9.44 -11.99 1 9 0 138 400.416 8 ↓

Analogs

39335444
39335444
39335447
39335447

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Popular Name: 3-[[2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetyl]amino]-4-methyl-benzoic 3-[[2-[(6-amino-3,5-dicyano-2-py…

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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) 1.94 5.91 -77.84 3 8 -1 156 366.382 5 ↓

Analogs

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Popular Name: (2S)-2-[(5-bromo-2-pyridyl)sulfanyl]-N-(3-cyanophenyl)propanamide (2S)-2-[(5-bromo-2-pyridyl)sulfa…

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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) 3.51 7.98 -12.99 1 4 0 66 362.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-bromo-2-pyridyl)sulfanyl]-N-(3-cyanophenyl)propanamide (2R)-2-[(5-bromo-2-pyridyl)sulfa…

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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) 3.51 7.99 -12.73 1 4 0 66 362.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-bromo-2-pyridyl)sulfanyl]-N-(2-cyanophenyl)propanamide (2S)-2-[(5-bromo-2-pyridyl)sulfa…

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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) 3.49 8.03 -7.97 1 4 0 66 362.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-bromo-2-pyridyl)sulfanyl]-N-(2-cyanophenyl)propanamide (2R)-2-[(5-bromo-2-pyridyl)sulfa…

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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) 3.49 8.03 -7.81 1 4 0 66 362.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-2-(2-pyridylsulfanyl)acetamide N-(4-amino-2,6-dichloro-phenyl)-…

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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 5.25 -13.24 3 4 0 68 328.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-chloro-phenyl)-2-(2-pyridylsulfanyl)propanamide (2R)-N-(4-amino-2-chloro-phenyl)…

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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) 2.48 5.47 -10.96 3 4 0 68 307.806 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-(2-pyridylsulfanyl)propanamide (2S)-N-(4-amino-2-chloro-phenyl)…

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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) 2.48 5.48 -10.92 3 4 0 68 307.806 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-bromophenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanamide (2R)-N-(2-bromophenyl)-2-[(3-cya…

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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) 4.09 9.33 -13.24 1 4 0 66 390.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-bromophenyl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanamide (2S)-N-(2-bromophenyl)-2-[(3-cya…

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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) 4.09 9.31 -13.2 1 4 0 66 390.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(3-methylsulfanylphenyl)propanamide (2R)-2-[(3-cyano-4,6-dimethyl-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) 3.74 9.58 -20.04 1 4 0 66 357.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(3-methylsulfanylphenyl)propanamide (2S)-2-[(3-cyano-4,6-dimethyl-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) 3.74 9.59 -20.09 1 4 0 66 357.504 5 ↓

Analogs

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Popular Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetamide N-[4-acetamido-2-(trifluoromethy…

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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) 3.00 7.7 -22.33 2 6 0 95 422.432 6 ↓

Analogs

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Popular Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide (2R)-2-[(3-cyano-4,6-dimethyl-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) 3.66 9.74 -16.4 1 7 0 112 370.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide (2S)-2-[(3-cyano-4,6-dimethyl-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) 3.66 9.75 -16.77 1 7 0 112 370.434 5 ↓

Analogs

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Popular Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(5-fluoro-2-methyl-phenyl)propanamide (2R)-2-[(3-cyano-4,6-dimethyl-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) 3.87 9.42 -18.96 1 4 0 66 343.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(5-fluoro-2-methyl-phenyl)propanamide (2S)-2-[(3-cyano-4,6-dimethyl-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) 3.87 9.45 -19.14 1 4 0 66 343.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2-fluoro-4-methyl-phenyl)propanamide (2R)-2-[(3-cyano-4,6-dimethyl-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) 3.87 9.31 -13.67 1 4 0 66 343.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2-fluoro-4-methyl-phenyl)propanamide (2S)-2-[(3-cyano-4,6-dimethyl-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) 3.87 9.33 -13.8 1 4 0 66 343.427 4 ↓

Analogs

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Popular Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)propanamide (2R)-2-[(3-cyano-4,6-dimethyl-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) 3.04 11.1 -17.28 0 6 0 90 394.5 7 ↓

Analogs

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Popular Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)propanamide (2S)-2-[(3-cyano-4,6-dimethyl-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) 3.04 11.01 -18.25 0 6 0 90 394.5 7 ↓

Analogs

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Popular Name: 2-[2-[(2-methylsulfonylphenyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-[(2-methylsulfonylphenyl)am…

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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) 1.22 3.78 -60.32 1 7 -1 116 365.412 6 ↓

Analogs

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Popular Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[3-chloro-5-(trifluoromet…

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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 7.11 -101.7 1 7 -2 122 432.763 7 ↓

Analogs

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Popular Name: 2-[2-[(2-methoxyphenyl)-(2,2,2-trifluoroethyl)amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-ca 2-[2-[(2-methoxyphenyl)-(2,2,2-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) 3.96 9.46 -68.14 0 6 -1 83 427.424 8 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-4,5-dimethoxy-phenyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-[(2-carboxy-4,5-dimethoxy-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) 1.63 4.84 -106.28 1 9 -2 141 390.373 8 ↓

Analogs

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Popular Name: 2-[2-[(4-carboxy-2-chloro-5-methoxy-phenyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-[(4-carboxy-2-chloro-5-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) 2.55 5.93 -110.87 1 8 -2 131 394.792 7 ↓

Analogs

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Popular Name: 2-[2-[[4-(carboxymethyl)phenyl]amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-[[4-(carboxymethyl)phenyl]a…

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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 6.05 -111.36 1 7 -2 122 344.348 7 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-4-chloro-phenyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-[(2-carboxy-4-chloro-phenyl…

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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 6.04 -102.14 1 7 -2 122 364.766 6 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-6-methyl-phenyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-[(2-carboxy-6-methyl-phenyl…

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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 6.33 -113.39 1 7 -2 122 344.348 6 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-4-iodo-phenyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-[(2-carboxy-4-iodo-phenyl)a…

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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) 3.07 6.63 -102.41 1 7 -2 122 456.217 6 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-5-fluoro-phenyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-[(2-carboxy-5-fluoro-phenyl…

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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 5.67 -103.45 1 7 -2 122 348.311 6 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-4,5-dimethoxy-phenyl)amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[2-[(2-carboxy-4,5-dimethoxy-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) 2.45 6.16 -112.35 1 9 -2 141 418.427 8 ↓

Analogs

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Popular Name: 2-[2-[(4-carboxy-2-chloro-5-methoxy-phenyl)amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbo 2-[2-[(4-carboxy-2-chloro-5-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) 3.36 7.26 -117.04 1 8 -2 131 422.846 7 ↓

Analogs

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Popular Name: 2-[2-[[4-(carboxymethyl)phenyl]amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[2-[[4-(carboxymethyl)phenyl]a…

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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 7.38 -117.94 1 7 -2 122 372.402 7 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-4-chloro-phenyl)amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[2-[(2-carboxy-4-chloro-phenyl…

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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) 3.48 7.38 -108.33 1 7 -2 122 392.82 6 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-6-methyl-phenyl)amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[2-[(2-carboxy-6-methyl-phenyl…

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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) 2.29 7.66 -120.16 1 7 -2 122 372.402 6 ↓

Analogs

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Popular Name: 2-[2-[(2-carboxy-4-iodo-phenyl)amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[2-[(2-carboxy-4-iodo-phenyl)a…

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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 7.96 -108.68 1 7 -2 122 484.271 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2-carboxy-5-fluoro-phenyl)amino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic 2-[2-[(2-carboxy-5-fluoro-phenyl…

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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) 2.96 6.99 -109.66 1 7 -2 122 376.365 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 4950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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