UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-methylthiazol-4-yl)-N-(3-propoxyphenyl)acetamide 2-(2-methylthiazol-4-yl)-N-(3-pr…

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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) 2.72 6.15 -13.17 1 4 0 51 290.388 6 ↓
Lo Low (pH 4.5-6) 2.72 6.32 -34.05 2 4 1 52 291.396 6 ↓

Analogs

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Popular Name: 2-[[[4-(2-anilino-2-oxo-ethyl)thiazol-2-yl]amino]methylene]propanediamide 2-[[[4-(2-anilino-2-oxo-ethyl)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) -0.35 -0.69 -23.95 6 8 0 140 345.384 7 ↓
Lo Low (pH 4.5-6) -0.35 -0.3 -46.61 7 8 1 141 346.392 7 ↓

Analogs

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Popular Name: 2-(2-acetamidothiazol-4-yl)-N-(2-ethylphenyl)acetamide 2-(2-acetamidothiazol-4-yl)-N-(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) 2.30 6.16 -19.65 2 5 0 71 303.387 5 ↓

Analogs

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Popular Name: N-[4-[2-[(2-ethylphenyl)amino]-2-oxo-ethyl]thiazol-2-yl]-2,2-dimethyl-propanamide N-[4-[2-[(2-ethylphenyl)amino]-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) 3.96 8.21 -17.98 2 5 0 71 345.468 6 ↓

Analogs

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Popular Name: 2-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 2-[[2-(2-methylthiazol-4-yl)acet…

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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) 1.85 6.06 -49.45 1 5 -1 82 275.309 4 ↓
Lo Low (pH 4.5-6) 1.85 6.23 -52.22 2 5 0 83 276.317 4 ↓

Analogs

21353899
21353899

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Popular Name: 2-[methyl-[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 2-[methyl-[2-(2-methylthiazol-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) 2.09 8.02 -60.13 0 5 -1 73 289.336 4 ↓

Analogs

48665996
48665996
21149184
21149184
6667407
6667407

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Popular Name: 2-hydroxy-4-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 2-hydroxy-4-[[2-(2-methylthiazol…

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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) 1.71 3.76 -61.73 2 6 -1 102 291.308 4 ↓
Lo Low (pH 4.5-6) 1.71 3.93 -73.77 3 6 0 104 292.316 4 ↓

Analogs

21353899
21353899

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Popular Name: 3-methyl-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 3-methyl-2-[[2-(2-methylthiazol-…

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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) 1.31 6.81 -56.28 1 5 -1 82 289.336 4 ↓
Lo Low (pH 4.5-6) 1.31 6.98 -55.63 2 5 0 83 290.344 4 ↓

Analogs

32046071
32046071
6767553
6767553
7995495
7995495
25970672
25970672

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Popular Name: 2-[4-[[2-(2-methylthiazol-4-yl)acetyl]amino]phenyl]acetic 2-[4-[[2-(2-methylthiazol-4-yl)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) 1.23 6.49 -58.51 1 5 -1 82 289.336 5 ↓
Lo Low (pH 4.5-6) 1.23 6.65 -66.76 2 5 0 83 290.344 5 ↓

Analogs

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Popular Name: 4-fluoro-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 4-fluoro-2-[[2-(2-methylthiazol-…

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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) 1.99 6.13 -44.81 1 5 -1 82 293.299 4 ↓
Lo Low (pH 4.5-6) 1.99 6.3 -47.7 2 5 0 83 294.307 4 ↓

Analogs

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Popular Name: hexyl hexyl

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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 9.86 -14.96 1 5 0 68 360.479 10 ↓
Lo Low (pH 4.5-6) 4.42 10.03 -38.71 2 5 1 70 361.487 10 ↓

Analogs

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Popular Name: N-(4-iodo-2-methyl-phenyl)-2-(2-methylthiazol-4-yl)acetamide N-(4-iodo-2-methyl-phenyl)-2-(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) 3.26 7.12 -12.57 1 3 0 42 372.231 3 ↓
Lo Low (pH 4.5-6) 3.26 7.29 -34.84 2 3 1 43 373.239 3 ↓

Analogs

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Popular Name: 2-(2-methylthiazol-4-yl)-N-(2-nitrophenyl)acetamide 2-(2-methylthiazol-4-yl)-N-(2-ni…

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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) 1.72 6.2 -12.35 1 6 0 88 277.305 4 ↓
Lo Low (pH 4.5-6) 1.72 6.37 -34.73 2 6 1 89 278.313 4 ↓

Analogs

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Popular Name: N-(2-methoxy-4-nitro-phenyl)-2-(2-methylthiazol-4-yl)acetamide N-(2-methoxy-4-nitro-phenyl)-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) 1.75 5.26 -13.63 1 7 0 97 307.331 5 ↓
Lo Low (pH 4.5-6) 1.75 5.43 -38.73 2 7 1 98 308.339 5 ↓

Analogs

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Popular Name: N-(4-methoxy-2-nitro-phenyl)-2-(2-methylthiazol-4-yl)acetamide N-(4-methoxy-2-nitro-phenyl)-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) 1.75 5.5 -11.78 1 7 0 97 307.331 5 ↓
Lo Low (pH 4.5-6) 1.75 5.67 -36.14 2 7 1 98 308.339 5 ↓

Analogs

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Popular Name: N-(4-chloro-3-nitro-phenyl)-2-(2-methylthiazol-4-yl)acetamide N-(4-chloro-3-nitro-phenyl)-2-(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) 2.37 6.24 -21.78 1 6 0 88 311.75 4 ↓
Lo Low (pH 4.5-6) 2.37 6.4 -44.06 2 6 1 89 312.758 4 ↓

Analogs

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Popular Name: N-(4-methyl-2-nitro-phenyl)-2-(2-methylthiazol-4-yl)acetamide N-(4-methyl-2-nitro-phenyl)-2-(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) 2.14 6.82 -11.54 1 6 0 88 291.332 4 ↓
Lo Low (pH 4.5-6) 2.14 7 -34.66 2 6 1 89 292.34 4 ↓

Analogs

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Popular Name: N-(2-methyl-4-nitro-phenyl)-2-(2-methylthiazol-4-yl)acetamide N-(2-methyl-4-nitro-phenyl)-2-(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) 2.14 6.74 -15.98 1 6 0 88 291.332 4 ↓
Lo Low (pH 4.5-6) 2.14 6.91 -41.99 2 6 1 89 292.34 4 ↓

Analogs

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Popular Name: 5-iodo-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 5-iodo-2-[[2-(2-methylthiazol-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) 2.91 7.16 -45.28 1 5 -1 82 401.205 4 ↓
Lo Low (pH 4.5-6) 2.91 7.33 -49.62 2 5 0 83 402.213 4 ↓

Analogs

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Popular Name: 3,5-dibromo-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 3,5-dibromo-2-[[2-(2-methylthiaz…

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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 7.38 -43.57 1 5 -1 82 433.101 4 ↓
Lo Low (pH 4.5-6) 3.37 7.55 -45.91 2 5 0 83 434.109 4 ↓

Analogs

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Popular Name: 3,5-dimethyl-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 3,5-dimethyl-2-[[2-(2-methylthia…

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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) 1.71 7.56 -52.11 1 5 -1 82 303.363 4 ↓
Lo Low (pH 4.5-6) 1.71 7.74 -53.33 2 5 0 83 304.371 4 ↓

Analogs

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Popular Name: 3-bromo-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 3-bromo-2-[[2-(2-methylthiazol-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) 2.61 6.78 -47.94 1 5 -1 82 354.205 4 ↓
Lo Low (pH 4.5-6) 2.61 6.94 -48.38 2 5 0 83 355.213 4 ↓

Analogs

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Popular Name: 4-methyl-3-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzamide 4-methyl-3-[[2-(2-methylthiazol-…

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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) 1.00 2.81 -23.93 3 5 0 85 289.36 4 ↓
Lo Low (pH 4.5-6) 1.00 2.97 -40.47 4 5 1 86 290.368 4 ↓

Analogs

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Popular Name: N-ethyl-3-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzamide N-ethyl-3-[[2-(2-methylthiazol-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) 1.35 4.25 -25.03 2 5 0 71 303.387 5 ↓
Lo Low (pH 4.5-6) 1.35 4.43 -40.16 3 5 1 72 304.395 5 ↓

Analogs

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Popular Name: 3-fluoro-4-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzoic 3-fluoro-4-[[2-(2-methylthiazol-…

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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) 1.81 5.8 -54.05 1 5 -1 82 293.299 4 ↓
Lo Low (pH 4.5-6) 1.81 5.98 -67.04 2 5 0 83 294.307 4 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-2-(2-methylthiazol-4-yl)-N-phenyl-acetamide N-(2-dimethylaminoethyl)-2-(2-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 9 -52.83 1 4 1 38 304.439 6 ↓

Analogs

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Popular Name: 2-[[2-(2-methylthiazol-4-yl)acetyl]amino]benzamide 2-[[2-(2-methylthiazol-4-yl)acet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 2.34 -15.59 3 5 0 85 275.333 4 ↓
Lo Low (pH 4.5-6) 0.57 2.52 -32.33 4 5 1 86 276.341 4 ↓

Analogs

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Popular Name: N-[4-[[2-(2,5-dimethylthiazol-4-yl)acetyl]amino]-2-methoxy-phenyl]butanamide N-[4-[[2-(2,5-dimethylthiazol-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) 2.63 5.53 -20.63 2 6 0 80 361.467 7 ↓
Lo Low (pH 4.5-6) 2.63 5.98 -38.66 3 6 1 82 362.475 7 ↓

Analogs

55640828
55640828

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Popular Name: 2-methyl-N-[4-[2-[4-[(1S)-1-methylpropoxy]anilino]-2-oxo-ethyl]thiazol-2-yl]propanamide 2-methyl-N-[4-[2-[4-[(1S)-1-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) 3.81 7.61 -17.45 2 6 0 80 375.494 8 ↓

Analogs

55642391
55642391
55639329
55639329
55639331
55639331

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-[4-[(1S)-1-methylpropoxy]phenyl]acetamide 2-(2-ethylthiazol-4-yl)-N-[4-[(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 7.59 -14.56 1 4 0 51 318.442 7 ↓
Lo Low (pH 4.5-6) 3.67 7.77 -34.13 2 4 1 52 319.45 7 ↓

Analogs

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Popular Name: N-ethyl-4-[[2-(2-ethylthiazol-4-yl)acetyl]amino]-3-methyl-benzamide N-ethyl-4-[[2-(2-ethylthiazol-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) 2.32 5.85 -16.74 2 5 0 71 331.441 6 ↓
Lo Low (pH 4.5-6) 2.32 6.05 -40.89 3 5 1 72 332.449 6 ↓

Analogs

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Popular Name: 5-chloro-N-ethyl-2-[[2-(2-ethylthiazol-4-yl)acetyl]amino]benzamide 5-chloro-N-ethyl-2-[[2-(2-ethylt…

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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 5.95 -12.3 2 5 0 71 351.859 6 ↓
Lo Low (pH 4.5-6) 2.55 6.13 -30.88 3 5 1 72 352.867 6 ↓

Analogs

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Popular Name: N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(2-ethylthiazol-4-yl)acetamide N-[2-ethoxy-5-(trifluoromethyl)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) 3.63 7.24 -13.88 1 4 0 51 358.385 7 ↓
Lo Low (pH 4.5-6) 3.63 7.42 -32.92 2 4 1 52 359.393 7 ↓

Analogs

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Popular Name: N-[2-methyl-3-[[2-(2-methylthiazol-4-yl)acetyl]amino]phenyl]butanamide N-[2-methyl-3-[[2-(2-methylthiaz…

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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) 2.77 6.68 -20.32 2 5 0 71 331.441 6 ↓
Lo Low (pH 4.5-6) 2.77 6.85 -41.24 3 5 1 72 332.449 6 ↓

Analogs

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Popular Name: N-(2,5-dibromophenyl)-2-(2-isopropylthiazol-4-yl)acetamide N-(2,5-dibromophenyl)-2-(2-isopr…

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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 7.67 -9.79 1 3 0 42 418.154 4 ↓

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)-2-(2-isopropylthiazol-4-yl)acetamide N-(4-chloro-3-fluoro-phenyl)-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) 3.63 6.84 -14.46 1 3 0 42 312.797 4 ↓

Analogs

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Popular Name: N-(2-chloro-4-iodo-phenyl)-2-(2-isopropylthiazol-4-yl)acetamide N-(2-chloro-4-iodo-phenyl)-2-(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) 4.55 8 -8.23 1 3 0 42 420.703 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-ethoxy-phenyl)-2-(2-methylthiazol-4-yl)acetamide N-(3-chloro-4-ethoxy-phenyl)-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) 2.84 5.9 -13.19 1 4 0 51 310.806 5 ↓
Lo Low (pH 4.5-6) 2.84 6.07 -36.14 2 4 1 52 311.814 5 ↓

Analogs

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-(4-fluoro-2-methyl-phenyl)acetamide 2-(2-ethylthiazol-4-yl)-N-(4-flu…

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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) 2.92 6.81 -13.26 1 3 0 42 278.352 4 ↓
Lo Low (pH 4.5-6) 2.92 6.99 -35.33 2 3 1 43 279.36 4 ↓

Analogs

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-(3-isopropylphenyl)acetamide 2-(2-ethylthiazol-4-yl)-N-(3-iso…

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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 7.81 -13.5 1 3 0 42 288.416 5 ↓
Lo Low (pH 4.5-6) 3.87 7.99 -32.29 2 3 1 43 289.424 5 ↓

Analogs

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-(3-methylsulfanylphenyl)acetamide 2-(2-ethylthiazol-4-yl)-N-(3-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) 2.79 6.91 -16.52 1 3 0 42 292.429 5 ↓
Lo Low (pH 4.5-6) 2.79 7.09 -34.37 2 3 1 43 293.437 5 ↓

Analogs

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-(2-fluoro-5-methyl-phenyl)acetamide 2-(2-ethylthiazol-4-yl)-N-(2-flu…

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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) 2.92 6.68 -11.78 1 3 0 42 278.352 4 ↓
Lo Low (pH 4.5-6) 2.92 6.86 -31.78 2 3 1 43 279.36 4 ↓

Analogs

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Popular Name: 3-[[2-(2-ethylthiazol-4-yl)acetyl]amino]benzamide 3-[[2-(2-ethylthiazol-4-yl)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) 1.17 2.67 -25.06 3 5 0 85 289.36 5 ↓
Lo Low (pH 4.5-6) 1.17 2.85 -40.04 4 5 1 86 290.368 5 ↓

Analogs

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-(2-isopropylphenyl)acetamide 2-(2-ethylthiazol-4-yl)-N-(2-iso…

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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 7.99 -12.66 1 3 0 42 288.416 5 ↓
Lo Low (pH 4.5-6) 3.37 8.17 -32.42 2 3 1 43 289.424 5 ↓

Analogs

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-(2-propylphenyl)acetamide 2-(2-ethylthiazol-4-yl)-N-(2-pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 8.34 -12.59 1 3 0 42 288.416 6 ↓
Lo Low (pH 4.5-6) 3.63 8.51 -32.49 2 3 1 43 289.424 6 ↓

Analogs

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-[2-(methoxymethyl)phenyl]acetamide 2-(2-ethylthiazol-4-yl)-N-[2-(me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 5.91 -13.52 1 4 0 51 290.388 6 ↓
Lo Low (pH 4.5-6) 2.28 6.09 -34.79 2 4 1 52 291.396 6 ↓

Analogs

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Popular Name: N-(2-ethylsulfanylphenyl)-2-(2-ethylthiazol-4-yl)acetamide N-(2-ethylsulfanylphenyl)-2-(2-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.14 7.9 -12.14 1 3 0 42 306.456 6 ↓
Lo Low (pH 4.5-6) 3.14 8.08 -30.73 2 3 1 43 307.464 6 ↓

Analogs

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Popular Name: 2-(2-ethylthiazol-4-yl)-N-(2-methoxy-4-methyl-phenyl)acetamide 2-(2-ethylthiazol-4-yl)-N-(2-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) 2.81 5.97 -13.06 1 4 0 51 290.388 5 ↓
Lo Low (pH 4.5-6) 2.81 6.15 -31.38 2 4 1 52 291.396 5 ↓

Analogs

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Popular Name: N-(5-bromo-2-methoxy-phenyl)-2-(2-ethylthiazol-4-yl)acetamide N-(5-bromo-2-methoxy-phenyl)-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) 3.17 5.93 -13.4 1 4 0 51 355.257 5 ↓
Lo Low (pH 4.5-6) 3.17 6.11 -32.33 2 4 1 52 356.265 5 ↓

Analogs

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Popular Name: N-(3-chloro-2-methoxy-phenyl)-2-(2-ethylthiazol-4-yl)acetamide N-(3-chloro-2-methoxy-phenyl)-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) 3.02 5.97 -11.31 1 4 0 51 310.806 5 ↓
Lo Low (pH 4.5-6) 3.02 6.15 -33.58 2 4 1 52 311.814 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 5981 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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