UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethyl dimethyl

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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) 2.74 9.76 -24.49 1 10 0 141 480.882 11 ↓

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) 3.08 9.54 -21.06 1 8 0 100 421.471 10 ↓

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) 3.73 10.35 -25.88 1 9 0 120 422.459 10 ↓

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) 3.44 10.64 -23.05 1 7 0 91 433.526 11 ↓

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) 3.24 1.1 -10.32 1 5 0 65 339.8 6 ↓

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) 3.85 1 -11.82 1 5 0 65 374.245 6 ↓

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) 5.80 12.81 -9.96 1 5 0 65 417.571 10 ↓

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) 5.80 12.69 -9.9 1 5 0 65 417.571 10 ↓

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) 5.80 12.82 -9.95 1 5 0 65 417.571 10 ↓

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) 5.80 12.73 -9.94 1 5 0 65 417.571 10 ↓

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) 2.02 6.91 -27.44 2 9 0 120 448.497 10 ↓

Analogs

21712745
21712745
22260012
22260012
14681466
14681466

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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) 3.81 7.7 -15.71 2 7 0 94 445.324 8 ↓

Analogs

3288829
3288829

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Popular Name: 2-(3-cyanophenoxy)-N-(3-cyano-2-thienyl)acetamide 2-(3-cyanophenoxy)-N-(3-cyano-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) 2.00 6.84 -15.19 1 5 0 86 283.312 4 ↓

Analogs

3553182
3553182
1137823
1137823

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Popular Name: 5-[[2-(2-chlorophenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylic 5-[[2-(2-chlorophenoxy)acetyl]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) 3.40 7.88 -64.58 1 5 -1 78 324.765 5 ↓

Analogs

19386072
19386072
6497643
6497643
14119015
14119015

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Popular Name: 5-[[2-(4-bromophenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylic 5-[[2-(4-bromophenoxy)acetyl]ami…

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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) 3.58 7.97 -60.8 1 5 -1 78 369.216 5 ↓

Analogs

19386072
19386072
2656921
2656921

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Popular Name: 5-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-thiophene-2-carboxylic 5-[[2-(3-fluorophenoxy)acetyl]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) 2.91 7.41 -63.8 1 5 -1 78 308.31 5 ↓

Analogs

38828237
38828237
38828239
38828239
38828281
38828281
38828287
38828287
38828344
38828344

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic 2-[[2-(3-bromophenoxy)acetyl]ami…

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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) 2.87 7.4 -49.15 1 5 -1 78 355.189 5 ↓

Analogs

4275695
4275695

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(3-chlorophenoxy)acetyl]amino]thiophene-3-carboxylic 2-[[2-(3-chlorophenoxy)acetyl]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) 2.74 7.3 -49.21 1 5 -1 78 310.738 5 ↓

Analogs

38828275
38828275
38828277
38828277
38828340
38828340
38828342
38828342

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Popular Name: 2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]thiophene-3-carboxylic 2-[[(2S)-2-(4-methylphenoxy)prop…

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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) 2.89 8.05 -49.05 1 5 -1 78 304.347 5 ↓
Hi High (pH 8-9.5) 3.08 6.36 -118.98 0 5 -2 85 303.339 5 ↓

Analogs

38828275
38828275
38828277
38828277
38828340
38828340
38828342
38828342

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Popular Name: 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]thiophene-3-carboxylic 2-[[(2R)-2-(4-methylphenoxy)prop…

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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) 2.89 8.03 -49.07 1 5 -1 78 304.347 5 ↓
Hi High (pH 8-9.5) 3.08 6.36 -118.98 0 5 -2 85 303.339 5 ↓

Analogs

38828283
38828283
38828346
38828346
11432631
11432631

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Popular Name: 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic 2-[[2-(2,6-dimethylphenoxy)acety…

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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 8.15 -49.98 1 5 -1 78 304.347 5 ↓

Analogs

29373206
29373206

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Popular Name: 2-[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]thiophene-3-carboxylic 2-[[2-(2-bromo-4-fluoro-phenoxy)…

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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) 2.98 7.49 -49.28 1 5 -1 78 373.179 5 ↓

Analogs

38828233
38828233
38828243
38828243
38828245
38828245
38828275
38828275
38828277
38828277

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]thiophene-3-carboxylic 2-[[(2S)-2-(2-fluorophenoxy)prop…

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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 7.42 -51.81 1 5 -1 78 308.31 5 ↓
Hi High (pH 8-9.5) 2.75 5.75 -121.82 0 5 -2 85 307.302 5 ↓

Analogs

38828233
38828233
38828243
38828243
38828245
38828245
38828275
38828275
38828277
38828277

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]thiophene-3-carboxylic 2-[[(2R)-2-(2-fluorophenoxy)prop…

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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 7.42 -51.82 1 5 -1 78 308.31 5 ↓
Hi High (pH 8-9.5) 2.75 5.74 -121.84 0 5 -2 85 307.302 5 ↓

Analogs

4275695
4275695
4281475
4281475

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Popular Name: 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]thiophene-3-carboxylic 2-[[2-(3,4-dichlorophenoxy)acety…

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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) 3.37 7.76 -48.39 1 5 -1 78 345.183 5 ↓

Analogs

38828245
38828245
38828310
38828310

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Popular Name: 2-[[2-(4-fluorophenoxy)acetyl]amino]thiophene-3-carboxylic 2-[[2-(4-fluorophenoxy)acetyl]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) 2.25 6.85 -48.72 1 5 -1 78 294.283 5 ↓

Analogs

38828285
38828285
38828287
38828287
38828348
38828348
4275695
4275695
4281475
4281475

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Popular Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiophene-3-carboxylic 2-[[2-(4-chloro-3-methyl-phenoxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 7.88 -48.53 1 5 -1 78 324.765 5 ↓

Analogs

38828283
38828283
38828285
38828285
38828346
38828346
11432631
11432631

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Popular Name: 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylic 2-[[2-(2,5-dimethylphenoxy)acety…

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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) 2.91 8.16 -49.8 1 5 -1 78 304.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethoxy]benzoic 2-[2-[(3-carbamoyl-2-thienyl)ami…

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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 3.22 -72.79 3 7 -1 122 319.318 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethoxy]benzoic 2-[2-[(3-cyano-2-thienyl)amino]-…

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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 6.62 -68.25 1 6 -1 102 301.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethoxy]benzoic 4-[2-[(3-carbamoyl-2-thienyl)ami…

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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) 1.24 2.73 -58.24 3 7 -1 122 319.318 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethoxy]benzoic 4-[2-[(3-cyano-2-thienyl)amino]-…

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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) 2.17 6.13 -56.16 1 6 -1 102 301.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethoxy]benzoic 3-[2-[(3-carbamoyl-2-thienyl)ami…

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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 2.71 -63.92 3 7 -1 122 319.318 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethoxy]benzoic 3-[2-[(3-cyano-2-thienyl)amino]-…

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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 6.11 -61.58 1 6 -1 102 301.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[(3-carbamoyl-2-thienyl)ami…

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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) 0.83 2.48 -59.11 3 8 -1 131 349.344 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[(3-cyano-2-thienyl)amino]-…

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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) 1.77 5.88 -56.84 1 7 -1 111 331.329 6 ↓

Analogs

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Popular Name: 2-[4-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(3-carbamoyl-2-thienyl)…

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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) 0.75 3.52 -56.43 3 7 -1 122 333.345 7 ↓

Analogs

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Popular Name: 2-[4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(3-cyano-2-thienyl)amin…

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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) 1.69 6.92 -53.75 1 6 -1 102 315.33 6 ↓

Analogs

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Popular Name: 4-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(3-carbamoyl-2-thienyl)ami…

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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) 1.16 2.85 -131.17 3 9 -2 162 362.319 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(3-cyano-2-thienyl)amino]-…

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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 6.25 -126.29 1 8 -2 142 344.304 6 ↓

Analogs

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Popular Name: 4-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethoxy]-3,5-dichloro-benzoic 4-[2-[(3-carbamoyl-2-thienyl)ami…

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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 3.92 -49.57 3 7 -1 122 388.208 6 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[(3-cyano-2-th…

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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) 3.39 7.32 -46.71 1 6 -1 102 370.193 5 ↓

Analogs

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Popular Name: (2S)-2-(3-tert-butylphenoxy)-N-(3-cyano-2-thienyl)propanamide (2S)-2-(3-tert-butylphenoxy)-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) 4.31 9.34 -9.96 1 4 0 62 328.437 5 ↓

Analogs

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Popular Name: (2R)-2-(3-tert-butylphenoxy)-N-(3-cyano-2-thienyl)propanamide (2R)-2-(3-tert-butylphenoxy)-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) 4.31 9.35 -9.6 1 4 0 62 328.437 5 ↓

Analogs

1284345
1284345
1284767
1284767

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Popular Name: 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic-acid-ethyl-ester 2-[[2-(2,3-dimethylphenoxy)acety…

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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 1.82 -12.98 1 5 0 64 361.463 7 ↓

Analogs

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Popular Name: 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic-acid-diethyl-este 5-[[2-(4-chloro-2-methyl-phenoxy…

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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) 4.60 2.05 -13.87 1 7 0 90 439.917 10 ↓

Analogs

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Popular Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic-acid-ethyl-est 2-[[2-(4-isopropyl-3-methyl-phen…

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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) 4.73 2.26 -12.83 1 5 0 64 389.517 8 ↓

Analogs

1946604
1946604

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Popular Name: 2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic-acid-m 2-[[2-(4-bromo-2-isopropyl-5-met…

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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) 5.09 1.73 -12.74 1 5 0 64 454.386 7 ↓

Analogs

1956705
1956705
1956708
1956708
718688
718688

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Popular Name: diisopropyl 5-{[2-(4-fluorophenoxy)propanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate diisopropyl 5-{[2-(4-fluoropheno…

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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) 4.79 3.38 -13.49 1 7 0 90 451.516 10 ↓

Analogs

1956705
1956705
1956708
1956708
718688
718688

Draw Identity 99% 90% 80% 70%

Popular Name: diisopropyl 5-{[2-(4-fluorophenoxy)propanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate diisopropyl 5-{[2-(4-fluoropheno…

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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) 4.79 3.43 -13.66 1 7 0 90 451.516 10 ↓

Parameters Provided:

ring.id = 11371
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 = 11371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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