UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-allyl-2-[2-(3-thienyl)thiazol-4-yl]-acetamide N-allyl-2-[2-(3-thienyl)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) 2.54 -1.87 -12.67 1 3 0 41 264.375 5 ↓

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) 2.51 8.75 -43.17 1 4 1 44 311.452 8 ↓
Mid Mid (pH 6-8) 2.51 6.4 -9.84 0 4 0 42 310.444 8 ↓

Analogs

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Popular Name: 2-(3-thienyl)-N-[2-(trifluoromethylsulfanyl)ethyl]thiazole-4-carboxamide 2-(3-thienyl)-N-[2-(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) 5.88 5.09 -7.89 1 3 0 42 338.401 6 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[2-(3-thienyl)thiazol-4-yl]acetamide N,N-dimethyl-2-[2-(3-thienyl)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) 1.70 5.4 -13.56 0 3 0 33 252.364 3 ↓

Analogs

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Popular Name: (2S)-2-methyl-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]pentanoic (2S)-2-methyl-2-[[2-(3-thienyl)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) 0.95 6.52 -58.24 1 5 -1 82 323.419 6 ↓

Analogs

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Popular Name: (2R)-2-methyl-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]pentanoic (2R)-2-methyl-2-[[2-(3-thienyl)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) 0.95 6.52 -58.24 1 5 -1 82 323.419 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(3-thienyl)thiazol-4-yl]methyl]ethane-1,2-diamine N-methyl-N-[[2-(3-thienyl)thiazo…

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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 2.2 -45.7 3 3 1 44 254.404 5 ↓
Lo Low (pH 4.5-6) 1.22 4.56 -117.6 4 3 2 45 255.412 5 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-4-methyl-2-(3-thienyl)thiazole-5-carboxamide N-(2-acetamidoethyl)-4-methyl-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) 1.18 2.4 -14.14 2 5 0 71 309.416 5 ↓

Analogs

37993976
37993976

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Popular Name: 2-[[4-methyl-2-(3-thienyl)thiazole-5-carbonyl]amino]acetic 2-[[4-methyl-2-(3-thienyl)thiazo…

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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) 0.36 4.06 -44 1 5 -1 82 281.338 4 ↓

Analogs

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Popular Name: 3-[[4-methyl-2-(3-thienyl)thiazole-5-carbonyl]amino]propanoic 3-[[4-methyl-2-(3-thienyl)thiazo…

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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) 1.55 4.72 -49.47 1 5 -1 82 295.365 5 ↓

Analogs

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Popular Name: (2S,3R)-3-hydroxy-2-[[4-methyl-2-(3-thienyl)thiazole-5-carbonyl]amino]butanoic (2S,3R)-3-hydroxy-2-[[4-methyl-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) -0.46 3.02 -56.55 2 6 -1 102 325.391 5 ↓

Analogs

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Popular Name: (2R,3R)-3-hydroxy-2-[[4-methyl-2-(3-thienyl)thiazole-5-carbonyl]amino]butanoic (2R,3R)-3-hydroxy-2-[[4-methyl-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) -0.46 2.5 -50.21 2 6 -1 102 325.391 5 ↓

Analogs

44615252
44615252
44615255
44615255

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Popular Name: (2S,3S)-3-hydroxy-2-[[4-methyl-2-(3-thienyl)thiazole-5-carbonyl]amino]butanoic (2S,3S)-3-hydroxy-2-[[4-methyl-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) -0.46 2.56 -50.77 2 6 -1 102 325.391 5 ↓

Analogs

44615252
44615252
44615255
44615255

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Popular Name: (2R,3S)-3-hydroxy-2-[[4-methyl-2-(3-thienyl)thiazole-5-carbonyl]amino]butanoic (2R,3S)-3-hydroxy-2-[[4-methyl-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) -0.46 3.05 -56.44 2 6 -1 102 325.391 5 ↓

Analogs

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Popular Name: (2S)-4-methyl-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]pentanoic (2S)-4-methyl-2-[[2-(3-thienyl)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) 1.24 6.5 -57.87 1 5 -1 82 323.419 6 ↓

Analogs

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Popular Name: (2R)-4-methyl-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]pentanoic (2R)-4-methyl-2-[[2-(3-thienyl)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) 1.24 6.52 -57.56 1 5 -1 82 323.419 6 ↓

Analogs

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Popular Name: (2S)-4-methylsulfanyl-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]butanoic (2S)-4-methylsulfanyl-2-[[2-(3-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) 0.38 6.45 -56.39 1 5 -1 82 341.459 7 ↓

Analogs

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Popular Name: (2R)-4-methylsulfanyl-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]butanoic (2R)-4-methylsulfanyl-2-[[2-(3-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) 0.38 6.39 -56.7 1 5 -1 82 341.459 7 ↓

Analogs

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Popular Name: (2S,3S)-3-hydroxy-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]butanoic (2S,3S)-3-hydroxy-2-[[2-(3-thien…

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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) -0.68 1.92 -62.32 2 6 -1 102 311.364 5 ↓

Analogs

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Popular Name: (2S,3R)-3-hydroxy-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]butanoic (2S,3R)-3-hydroxy-2-[[2-(3-thien…

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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) -0.68 2.06 -61.58 2 6 -1 102 311.364 5 ↓

Analogs

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Popular Name: (2R,3S)-3-hydroxy-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]butanoic (2R,3S)-3-hydroxy-2-[[2-(3-thien…

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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) -0.68 2.1 -61.2 2 6 -1 102 311.364 5 ↓

Analogs

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Popular Name: (2R,3R)-3-hydroxy-2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]butanoic (2R,3R)-3-hydroxy-2-[[2-(3-thien…

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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) -0.68 2.52 -61.75 2 6 -1 102 311.364 5 ↓

Analogs

37994215
37994215

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Popular Name: 2-[[2-[2-(3-thienyl)thiazol-4-yl]acetyl]amino]acetic 2-[[2-[2-(3-thienyl)thiazol-4-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) 0.23 4.29 -48.22 1 5 -1 82 281.338 5 ↓

Analogs

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Popular Name: 3-[[2-(3-thienyl)thiazole-4-carbonyl]amino]propanoic 3-[[2-(3-thienyl)thiazole-4-carb…

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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) 1.32 3.97 -50.64 1 5 -1 82 281.338 5 ↓

Analogs

37564900
37564900
37860602
37860602
37993786
37993786
41576510
41576510
50823956
50823956

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Popular Name: 2-[methyl-[2-(3-thienyl)thiazole-4-carbonyl]amino]acetic 2-[methyl-[2-(3-thienyl)thiazole…

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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) 0.39 6.33 -55.69 0 5 -1 73 281.338 4 ↓

Analogs

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Popular Name: N-(1-ethylpropyl)-2-(3-thienyl)thiazole-4-carboxamide N-(1-ethylpropyl)-2-(3-thienyl)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) 3.55 5.83 -7.25 1 3 0 42 280.418 5 ↓

Analogs

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Popular Name: N-[(2R)-2-cyanopropyl]-N,4-dimethyl-2-(3-thienyl)thiazole-5-carboxamide N-[(2R)-2-cyanopropyl]-N,4-dimet…

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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) 2.81 6.74 -14.77 0 4 0 57 305.428 4 ↓

Analogs

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Popular Name: N-[(2S)-2-cyanopropyl]-N,4-dimethyl-2-(3-thienyl)thiazole-5-carboxamide N-[(2S)-2-cyanopropyl]-N,4-dimet…

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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) 2.81 6.73 -14.05 0 4 0 57 305.428 4 ↓

Analogs

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Popular Name: 2-[ethyl-[2-[2-(3-thienyl)thiazol-4-yl]acetyl]amino]-N-isopropyl-acetamide 2-[ethyl-[2-[2-(3-thienyl)thiazo…

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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) 2.80 6.84 -17.33 1 5 0 62 351.497 7 ↓

Analogs

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Popular Name: N-tert-butyl-2-[ethyl-[2-[2-(3-thienyl)thiazol-4-yl]acetyl]amino]acetamide N-tert-butyl-2-[ethyl-[2-[2-(3-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) 3.31 7.33 -16.41 1 5 0 62 365.524 7 ↓

Analogs

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Popular Name: N-tert-butyl-2-[methyl-[2-[2-(3-thienyl)thiazol-4-yl]acetyl]amino]acetamide N-tert-butyl-2-[methyl-[2-[2-(3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 6.43 -17.14 1 5 0 62 351.497 6 ↓

Analogs

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Popular Name: 1-allyl-3-[[2-(3-thienyl)thiazole-4-carbonyl]amino]thiourea 1-allyl-3-[[2-(3-thienyl)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) 2.40 4.95 -12.19 3 5 0 66 324.456 7 ↓

Analogs

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Popular Name: 2-[[2-[2-(3-thienyl)thiazol-4-yl]acetyl]amino]oxyacetic 2-[[2-[2-(3-thienyl)thiazol-4-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) 1.10 5.76 -61.1 1 6 -1 91 297.337 6 ↓

Analogs

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Popular Name: 2-[[2-(3-thienyl)thiazole-4-carbonyl]amino]oxyacetic 2-[[2-(3-thienyl)thiazole-4-carb…

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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) 1.01 4.84 -54.4 1 6 -1 91 283.31 5 ↓

Analogs

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Popular Name: N'-(2-ethoxyacetyl)-2-(3-thienyl)thiazole-4-carbohydrazide N'-(2-ethoxyacetyl)-2-(3-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) 1.25 3.08 -13.7 2 6 0 80 311.388 6 ↓

Analogs

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Popular Name: (2R)-2-formamido-3-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]propanoic (2R)-2-formamido-3-[[2-(3-thieny…

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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) 0.06 5.82 -52.67 1 5 -1 82 327.432 7 ↓

Analogs

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Popular Name: (2S)-2-formamido-3-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]propanoic (2S)-2-formamido-3-[[2-(3-thieny…

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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) 0.06 5.68 -55.15 1 5 -1 82 327.432 7 ↓

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) 1.84 4.91 -7.95 2 4 0 65 314.457 7 ↓
Lo Low (pH 4.5-6) 1.84 5.24 -43.21 3 4 1 67 315.465 7 ↓

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) 1.84 4.92 -8.38 2 4 0 65 314.457 7 ↓
Lo Low (pH 4.5-6) 1.84 5.25 -41.53 3 4 1 67 315.465 7 ↓

Analogs

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-2-[2-(3-thienyl)thiazol-4-yl]acetamide N-[2-(2-hydroxyethoxy)ethyl]-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) 1.16 1.2 -16.1 2 5 0 71 312.416 8 ↓

Analogs

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-2-(3-thienyl)thiazole-5-carboxamide N-[2-(2-hydroxyethoxy)ethyl]-4-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) 1.29 0.99 -13.08 2 5 0 71 312.416 7 ↓

Analogs

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-2-(3-thienyl)thiazole-4-carboxamide N-[2-(2-hydroxyethoxy)ethyl]-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) 1.07 0.24 -11.98 2 5 0 71 298.389 7 ↓

Analogs

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Popular Name: N-isopropyl-2-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]acetamide N-isopropyl-2-[[2-(3-thienyl)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) 2.89 6.23 -13.56 1 3 0 42 312.485 6 ↓

Analogs

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Popular Name: N-(2-amino-1,1-dimethyl-2-oxo-ethyl)-4-methyl-2-(3-thienyl)thiazole-5-carboxamide N-(2-amino-1,1-dimethyl-2-oxo-et…

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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) 1.57 1.68 -12.04 3 5 0 85 309.416 4 ↓

Analogs

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Popular Name: (2S)-N-methyl-1-methylsulfonyl-N-[[2-(3-thienyl)thiazol-4-yl]methyl]propan-2-amine (2S)-N-methyl-1-methylsulfonyl-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) 2.15 3.26 -17.62 0 4 0 50 330.5 6 ↓
Mid Mid (pH 6-8) 2.15 5.53 -44.88 1 4 1 51 331.508 6 ↓

Analogs

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Popular Name: (2R)-N-methyl-1-methylsulfonyl-N-[[2-(3-thienyl)thiazol-4-yl]methyl]propan-2-amine (2R)-N-methyl-1-methylsulfonyl-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) 2.15 3.9 -16.68 0 4 0 50 330.5 6 ↓
Mid Mid (pH 6-8) 2.15 5.5 -46.61 1 4 1 51 331.508 6 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.60 3.35 -8.89 2 6 0 80 325.415 5 ↓

Analogs

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Popular Name: 2-[[4-methyl-2-(3-thienyl)thiazole-5-carbonyl]amino]oxyacetic 2-[[4-methyl-2-(3-thienyl)thiazo…

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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) 1.23 5.51 -52.7 1 6 -1 91 297.337 5 ↓

Analogs

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Popular Name: N-ethyl-2-[2-(3-thienyl)thiazol-4-yl]acetamide N-ethyl-2-[2-(3-thienyl)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) 2.27 4.27 -13.08 1 3 0 42 252.364 4 ↓

Analogs

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Popular Name: N-ethyl-4-methyl-2-(3-thienyl)thiazole-5-carboxamide N-ethyl-4-methyl-2-(3-thienyl)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) 2.40 4.05 -9.45 1 3 0 42 252.364 3 ↓

Parameters Provided:

ring.id = 5892
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 = 5892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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