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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(E)-3-oxo-3-[(4-phenylthiazol-2-yl)amino]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[(4-phenylthiazol…

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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) 4.11 9.43 -55.86 1 5 -1 82 349.391 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-acetamidophenyl)…

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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) 3.32 8.32 -63.7 2 7 -1 111 406.443 6 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-methoxyphenyl)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) 4.16 8.73 -56.95 1 6 -1 91 379.417 6 ↓

Analogs

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Popular Name: 4-[(E)-3-oxo-3-[[4-(p-tolyl)thiazol-2-yl]amino]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[[4-(p-tolyl)thia…

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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) 4.55 10.11 -55.88 1 5 -1 82 363.418 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-fluorophenyl)thi…

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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 9.5 -55.5 1 5 -1 82 367.381 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(3,4-dimethylphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3,4-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) 4.93 10.64 -56.12 1 5 -1 82 377.445 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-methoxyphenyl)-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) 4.38 9.3 -57.23 1 6 -1 91 393.444 6 ↓

Analogs

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Popular Name: 4-[(E)-3-oxo-3-[[4-(4-propoxyphenyl)thiazol-2-yl]amino]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[[4-(4-propoxyphe…

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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) 5.04 10.46 -56.5 1 6 -1 91 407.471 8 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(2,4-dimethoxyphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(2,4-dimethoxypheny…

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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) 4.15 8.5 -58.89 1 7 -1 101 409.443 7 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(2,5-dimethylphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(2,5-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) 4.93 11.29 -55.35 1 5 -1 82 377.445 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-chlorophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-chlorophenyl)thi…

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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) 4.78 9.95 -55.06 1 5 -1 82 383.836 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(2,5-difluorophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(2,5-difluorophenyl…

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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) 4.36 9.48 -55.34 1 5 -1 82 385.371 5 ↓

Analogs

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Popular Name: 4-[(E)-3-oxo-3-[[4-(2,4,5-trimethylphenyl)thiazol-2-yl]amino]prop-1-enyl]benzoic 4-[(E)-3-oxo-3-[[4-(2,4,5-trimet…

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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 11.83 -55.55 1 5 -1 82 391.472 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(2,5-dimethoxypheny…

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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) 4.15 8.49 -58.23 1 7 -1 101 409.443 7 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(3,4-difluorophenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3,4-difluorophenyl…

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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) 4.58 10.13 -55.26 1 5 -1 82 399.398 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-fluorophenyl)-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) 4.49 10.07 -55.65 1 5 -1 82 381.408 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-chlorophenyl)-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) 5.01 10.53 -55.32 1 5 -1 82 397.863 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(3,4-dimethylphenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3,4-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) 5.15 11.21 -56.63 1 5 -1 82 391.472 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(4-bromophenyl)-5-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.14 10.63 -55.24 1 5 -1 82 442.314 5 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3-bromo-4-methoxy-…

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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) 4.90 9.4 -55.96 1 6 -1 91 458.313 6 ↓

Analogs

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Popular Name: 4-[(E)-3-[[4-(3,4-difluorophenyl)thiazol-2-yl]amino]-3-oxo-prop-1-enyl]benzoic 4-[(E)-3-[[4-(3,4-difluorophenyl…

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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) 4.36 9.55 -55.23 1 5 -1 82 385.371 5 ↓

Analogs

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-prop-2-enamide N-[4-(4-bromophenyl)thiazol-2-yl…

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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) 4.75 0.65 -12.6 1 6 0 84 484.375 7 ↓

Analogs

1168248
1168248
1945770
1945770
3480864
3480864
6220769
6220769
6341673
6341673

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Popular Name: (E)-3-(3,4-dimethoxyphenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(3,4-dimethoxyphenyl)-N-[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) 4.29 0.63 -14.04 1 5 0 60 380.469 6 ↓

Analogs

1945761
1945761
1945766
1945766
1945770
1945770
1945833
1945833
1945873
1945873

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Popular Name: (E)-3-(4-methoxyphenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-methoxyphenyl)-N-[4-(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) 4.70 0.3 -11.53 1 4 0 51 350.443 5 ↓

Analogs

1945801
1945801
1945831
1945831
1945833
1945833
1945835
1945835
1945839
1945839

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Popular Name: (E)-3-(4-chlorophenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-chlorophenyl)-N-[4-(p-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) 5.32 0.12 -10.41 1 3 0 41 354.862 4 ↓

Analogs

1945801
1945801
1945835
1945835
1945839
1945839
1946035
1946035
1946046
1946046

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Popular Name: (E)-3-(2-chlorophenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(2-chlorophenyl)-N-[4-(p-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) 5.09 0.13 -11.84 1 3 0 41 354.862 4 ↓

Analogs

1945466
1945466
1945484
1945484
1959369
1959369
1959375
1959375
2608848
2608848

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Popular Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-ethoxy-3-methoxy-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) 4.67 0.64 -13.91 1 5 0 60 394.496 7 ↓

Analogs

6284480
6284480

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Popular Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-2-cyano-3-(4-methoxyphenyl)-…

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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 1.36 -11.55 1 5 0 75 375.453 5 ↓

Analogs

1959570
1959570
6397839
6397839
671370
671370

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Popular Name: 3-(3,4-dimethoxyphenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-prop-2-enamide 3-(3,4-dimethoxyphenyl)-N-[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) 4.51 0.53 -14.39 1 5 0 60 394.496 6 ↓

Analogs

1945803
1945803
1959551
1959551
1959570
1959570
6397839
6397839
6397846
6397846

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Popular Name: (E)-3-(4-methoxyphenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-methoxyphenyl)-N-[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) 4.92 0.18 -11.92 1 4 0 51 364.47 5 ↓

Analogs

1945803
1945803
1959551
1959551
5753143
5753143
6375787
6375787
6397842
6397842

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Popular Name: (E)-3-(4-chlorophenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-chlorophenyl)-N-[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) 5.54 0 -10.81 1 3 0 41 368.889 4 ↓

Analogs

1959575
1959575
1959580
1959580
2609048
2609048
2609050
2609050
6397839
6397839

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Popular Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acrylamide (E)-3-(4-ethoxy-3-methoxy-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) 4.89 0.52 -14.4 1 5 0 60 408.523 7 ↓

Analogs

5753143
5753143

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Popular Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]acrylamide (E)-2-cyano-3-(4-methoxyphenyl)-…

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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) 4.64 1.24 -12.01 1 5 0 75 389.48 5 ↓

Analogs

5753143
5753143

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Popular Name: (E)-2-cyano-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-phenyl-acrylamide (E)-2-cyano-N-[5-methyl-4-(p-tol…

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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) 4.59 1.2 -10.87 1 4 0 65 359.454 4 ↓

Analogs

1945770
1945770
1945793
1945793
1945867
1945867
1945869
1945869
1945873
1945873

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Popular Name: (E)-N-(4-phenylthiazol-2-yl)-3-p-phenetyl-acrylamide (E)-N-(4-phenylthiazol-2-yl)-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) 4.63 -0.01 -11.35 1 4 0 51 350.443 6 ↓

Analogs

1959227
1959227
1965279
1965279

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Popular Name: (E)-N-[4-(4-bromophenyl)thiazol-2-yl]-3-p-phenetyl-acrylamide (E)-N-[4-(4-bromophenyl)thiazol-…

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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) 5.44 -0.76 -10.53 1 4 0 51 429.339 6 ↓

Analogs

1945881
1945881
1959570
1959570
6355293
6355293
6397846
6397846
6397853
6397853

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Popular Name: BRD-K87996204-001-01-2 BRD-K87996204-001-01-2

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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) 5.30 0.2 -11.8 1 4 0 51 378.497 6 ↓

Analogs

5712956
5712956
5712961
5712961
5712965
5712965
6284480
6284480

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Popular Name: (E)-2-cyano-3-(4-methoxyphenyl)-N-(4-p-phenetylthiazol-2-yl)acrylamide (E)-2-cyano-3-(4-methoxyphenyl)-…

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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) 4.41 1.07 -12.52 1 6 0 84 405.479 7 ↓

Analogs

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Popular Name: (E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(4-p-phenetylthiazol-2-yl)acrylamide (E)-2-cyano-3-(4-ethoxy-3-methox…

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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) 4.37 10.29 -13.7 1 7 0 93 449.532 9 ↓

Analogs

5933339
5933339
5938868
5938868
6284469
6284469
6284475
6284475
17079151
17079151

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Popular Name: 2-cyano-3-(4-isopropylphenyl)-N-(4-phenylthiazol-2-yl)-prop-2-enamide 2-cyano-3-(4-isopropylphenyl)-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) 5.43 1.8 -10.28 1 4 0 65 373.481 5 ↓

Analogs

5933339
5933339
5938868
5938868
6284469
6284469
6284475
6284475
17079151
17079151

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Popular Name: (E)-2-cyano-3-p-cumenyl-N-[4-(p-tolyl)thiazol-2-yl]acrylamide (E)-2-cyano-3-p-cumenyl-N-[4-(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) 5.88 2.12 -10.24 1 4 0 65 387.508 5 ↓

Analogs

5753143
5753143

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Popular Name: (E)-2-cyano-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-p-cumenyl-acrylamide (E)-2-cyano-N-[5-methyl-4-(p-tol…

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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) 6.10 2 -10.62 1 4 0 65 401.535 5 ↓

Analogs

6284469
6284469

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Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-2-cyano-3-phenyl-prop-2-enamide N-[4-(4-chlorophenyl)thiazol-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) 4.60 0.85 -9.85 1 4 0 66 365.845 4 ↓

Analogs

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Popular Name: (E)-3-(4-methoxyphenyl)-N-(4-o-phenetylthiazol-2-yl)acrylamide (E)-3-(4-methoxyphenyl)-N-(4-o-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) 4.64 0.45 -13.48 1 5 0 60 380.469 7 ↓

Analogs

6439708
6439708

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Popular Name: (E)-N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-3-(4-methoxyphenyl)acrylamide (E)-N-[4-(3-chlorophenyl)-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) 5.13 -0.29 -12.17 1 4 0 51 384.888 5 ↓

Analogs

6375787
6375787
6397842
6397842

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Popular Name: (E)-N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-3-phenyl-acrylamide (E)-N-[4-(3-chlorophenyl)-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) 5.07 -0.32 -10.77 1 3 0 41 354.862 4 ↓

Analogs

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Popular Name: (E)-3-(3-bromo-4-methoxy-phenyl)-N-(4-o-phenetylthiazol-2-yl)acrylamide (E)-3-(3-bromo-4-methoxy-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) 5.37 10.49 -14.76 1 5 0 60 459.365 7 ↓

Analogs

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Popular Name: (E)-3-(3-bromo-4-methoxy-phenyl)-N-[4-(2-chlorophenyl)thiazol-2-yl]acrylamide (E)-3-(3-bromo-4-methoxy-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) 5.62 10.4 -13.34 1 4 0 51 449.757 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-chlorophenyl)-2-cyano-N-[4-(3-methoxyphenyl)thiazol-2-yl]acrylamide (E)-3-(4-chlorophenyl)-2-cyano-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) 4.63 0.89 -13.72 1 5 0 75 395.871 5 ↓

Analogs

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Popular Name: (E)-N-[4-(3-bromophenyl)thiazol-2-yl]-2-cyano-3-p-cumenyl-acrylamide (E)-N-[4-(3-bromophenyl)thiazol-…

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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) 6.22 1.04 -8.82 1 4 0 65 452.377 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 34691 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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