UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-methyl-2-pyrimidin-2-yl-thiazol-5-yl)acetic 2-(4-methyl-2-pyrimidin-2-yl-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) 0.85 4.79 -52.23 0 5 -1 79 234.26 3 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxamide N-(2-diethylaminoethyl)-4-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) 1.40 5.14 -47.22 2 6 1 72 320.442 7 ↓
Hi High (pH 8-9.5) 1.40 3.04 -13.17 1 6 0 71 319.434 7 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxamide N-[3-(dimethylamino)-2,2-dimethy…

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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 6.02 -47.79 2 6 1 72 334.469 6 ↓

Analogs

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Popular Name: 5,6-dihydroxy-2-thiazol-2-yl-pyrimidine-4-carboxylic 5,6-dihydroxy-2-thiazol-2-yl-pyr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8-2-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #2 Of 2), Viral Viruses 760 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 210 0.58 Binding ≤ 1μM
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 210 0.58 Binding ≤ 10μM

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 -2.27 -117.89 1 7 -2 122 237.196 2 ↓

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) 0.44 3.25 -18.67 1 7 0 94 306.347 6 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-4-methyl-2-pyrimidin-2-yl-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) -0.24 0.84 -18.24 2 7 0 97 305.363 5 ↓

Analogs

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Popular Name: N-methoxy-N,4-dimethyl-2-pyrimidin-2-yl-thiazole-5-carboxamide N-methoxy-N,4-dimethyl-2-pyrimid…

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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) 0.82 3.44 -13.66 0 6 0 68 264.31 3 ↓

Analogs

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Popular Name: 4-methyl-N-[2-(methylamino)-2-oxo-ethyl]-2-pyrimidin-2-yl-thiazole-5-carboxamide 4-methyl-N-[2-(methylamino)-2-ox…

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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 0.13 -16.16 2 7 0 97 291.336 4 ↓

Analogs

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Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxamide N-[2-(tert-butylamino)-2-oxo-eth…

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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) 1.41 2.28 -14.97 2 7 0 97 333.417 5 ↓

Analogs

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Popular Name: 4-methyl-2-pyrimidin-2-yl-N-(1,1,3,3-tetramethylbutyl)thiazole-5-carboxamide 4-methyl-2-pyrimidin-2-yl-N-(1,1…

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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) 3.40 6.85 -12.29 1 5 0 68 332.473 5 ↓

Analogs

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Popular Name: 3-(ethylcarbamoylamino)propyl 3-(ethylcarbamoylamino)propyl

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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) 1.34 3.56 -18.52 2 8 0 106 349.416 8 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-2-(2-pyrimidin-2-ylthiazol-4-yl)acetamide N-[3-(dimethylamino)-2,2-dimethy…

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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) 1.68 6.22 -51.55 2 6 1 72 334.469 7 ↓

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) 1.74 5.66 -16.59 1 7 0 94 348.428 7 ↓

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) 1.74 5.66 -16.61 1 7 0 94 348.428 7 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-N-methyl-N-[(2-pyrimidin-2-ylthiazol-4-yl)methyl]ethanamine 2,2,2-trifluoro-N-methyl-N-[(2-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 3.77 -12.39 0 4 0 42 288.298 5 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-2-ylthiazol-4-yl)methyl]propan-1-amine N-[(2-pyrimidin-2-ylthiazol-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) 1.64 4.19 -42.61 2 4 1 55 235.336 5 ↓
Hi High (pH 8-9.5) 1.64 2.83 -10.18 1 4 0 51 234.328 5 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-2-ylthiazol-4-yl)methyl]propan-2-amine N-[(2-pyrimidin-2-ylthiazol-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) 1.44 3.96 -39.87 2 4 1 55 235.336 4 ↓
Hi High (pH 8-9.5) 1.44 2.75 -10.1 1 4 0 51 234.328 4 ↓

Analogs

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Popular Name: N-[(2-pyrimidin-2-ylthiazol-4-yl)methyl]ethanamine N-[(2-pyrimidin-2-ylthiazol-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) 1.14 3.44 -41.94 2 4 1 55 221.309 4 ↓
Hi High (pH 8-9.5) 1.14 2.06 -10.3 1 4 0 51 220.301 4 ↓

Analogs

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Popular Name: N-methyl-1-(2-pyrimidin-2-ylthiazol-4-yl)methanamine N-methyl-1-(2-pyrimidin-2-ylthia…

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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) 0.76 2.58 -42.82 2 4 1 55 207.282 3 ↓
Hi High (pH 8-9.5) 0.76 1.13 -10.45 1 4 0 51 206.274 3 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(2-methoxyethyl)-2-pyrimidin-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) 0.38 0.82 -13.05 1 6 0 77 264.31 5 ↓

Analogs

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Popular Name: N-isobutyl-2-[(S)-(2-pyrimidin-2-ylthiazol-4-yl)methylsulfinyl]acetamide N-isobutyl-2-[(S)-(2-pyrimidin-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) 0.40 2.83 -32.98 1 6 0 85 338.458 7 ↓

Analogs

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Popular Name: N-isobutyl-2-[(R)-(2-pyrimidin-2-ylthiazol-4-yl)methylsulfinyl]acetamide N-isobutyl-2-[(R)-(2-pyrimidin-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) 0.40 2.83 -23.2 1 6 0 85 338.458 7 ↓

Analogs

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Popular Name: N-(2-ethoxyethyl)-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(2-ethoxyethyl)-2-pyrimidin-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) 0.76 1.8 -13 1 6 0 77 278.337 6 ↓

Analogs

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Popular Name: N-(2-methylsulfonylethyl)-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(2-methylsulfonylethyl)-2-pyri…

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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) -0.20 -0.72 -23.45 1 7 0 102 312.376 5 ↓

Analogs

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Popular Name: 1-methyl-3-[(2-pyrimidin-2-ylthiazole-4-carbonyl)amino]urea 1-methyl-3-[(2-pyrimidin-2-ylthi…

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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) -0.19 -0.74 -15 3 8 0 109 278.297 3 ↓

Analogs

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Popular Name: 1-methyl-3-[[2-(2-pyrimidin-2-ylthiazol-4-yl)acetyl]amino]urea 1-methyl-3-[[2-(2-pyrimidin-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) -0.10 0.21 -27.11 3 8 0 109 292.324 4 ↓

Analogs

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Popular Name: 1-methyl-3-[(4-methyl-2-pyrimidin-2-yl-thiazole-5-carbonyl)amino]urea 1-methyl-3-[(4-methyl-2-pyrimidi…

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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) 0.03 0.02 -17.66 3 8 0 109 292.324 3 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-propyl-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(cyanomethyl)-N-propyl-2-pyrim…

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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 6.07 -14.29 0 6 0 83 287.348 5 ↓

Analogs

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Popular Name: N-(4-amino-4-oxo-butyl)-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(4-amino-4-oxo-butyl)-2-pyrimi…

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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) -0.33 -0.66 -17.85 3 7 0 111 291.336 6 ↓

Analogs

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Popular Name: N-[(1S)-1-ethyl-2-methyl-propyl]-2-pyrimidin-2-yl-thiazole-4-carboxamide N-[(1S)-1-ethyl-2-methyl-propyl]…

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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) 2.38 4.38 -10.93 1 5 0 68 290.392 5 ↓

Analogs

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Popular Name: N-[(1R)-1-ethyl-2-methyl-propyl]-2-pyrimidin-2-yl-thiazole-4-carboxamide N-[(1R)-1-ethyl-2-methyl-propyl]…

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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) 2.38 4.66 -10.9 1 5 0 68 290.392 5 ↓

Analogs

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Popular Name: 2-[methyl-[(2-pyrimidin-2-ylthiazol-4-yl)methyl]amino]acetamide 2-[methyl-[(2-pyrimidin-2-ylthia…

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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) -0.26 1.85 -46.5 3 6 1 86 264.334 5 ↓
Hi High (pH 8-9.5) -0.26 -0.47 -18.62 2 6 0 85 263.326 5 ↓

Analogs

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Popular Name: N-ethyl-2-[methyl-[(2-pyrimidin-2-ylthiazol-4-yl)methyl]amino]acetamide N-ethyl-2-[methyl-[(2-pyrimidin-…

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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) 0.99 4.17 -46.08 2 6 1 72 292.388 6 ↓
Hi High (pH 8-9.5) 0.99 1.89 -18.26 1 6 0 71 291.38 6 ↓

Analogs

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Popular Name: N-(3,3-dimethylbutyl)-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(3,3-dimethylbutyl)-2-pyrimidi…

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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 4.16 -11.32 1 5 0 68 290.392 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-methyl-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(2-methoxyethyl)-N-methyl-2-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 4.34 -14.11 0 6 0 68 278.337 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N,4-dimethyl-2-pyrimidin-2-yl-thiazole-5-carboxamide N-(2-methoxyethyl)-N,4-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) 0.85 3.37 -14.4 0 6 0 68 292.364 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-methyl-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(2-amino-2-oxo-ethyl)-N-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) -0.63 0.87 -18.94 2 7 0 102 277.309 4 ↓

Analogs

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Popular Name: 2-[methyl-[2-(2-pyrimidin-2-ylthiazol-4-yl)acetyl]amino]acetamide 2-[methyl-[2-(2-pyrimidin-2-ylth…

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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) -0.53 1.22 -25.22 2 7 0 102 291.336 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N,4-dimethyl-2-pyrimidin-2-yl-thiazole-5-carboxamide N-(2-amino-2-oxo-ethyl)-N,4-dime…

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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) -0.40 0.63 -22.18 2 7 0 102 291.336 4 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-2-(2-pyrimidin-2-ylthiazol-4-yl)acetamide N-(2-bromoallyl)-2-(2-pyrimidin-…

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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) 1.60 3.85 -19.48 1 5 0 68 339.218 5 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(2-bromoallyl)-2-pyrimidin-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) 1.51 2.91 -11.9 1 5 0 68 325.191 4 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxamide N-(2-bromoallyl)-4-methyl-2-pyri…

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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) 1.73 3.66 -12.85 1 5 0 68 339.218 4 ↓

Analogs

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Popular Name: N-[(2S)-2-cyanopropyl]-N-methyl-2-pyrimidin-2-yl-thiazole-4-carboxamide N-[(2S)-2-cyanopropyl]-N-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) 1.17 5.43 -13.53 0 6 0 83 287.348 4 ↓

Analogs

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Popular Name: N-[(2R)-2-cyanopropyl]-N-methyl-2-pyrimidin-2-yl-thiazole-4-carboxamide N-[(2R)-2-cyanopropyl]-N-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) 1.17 5.44 -12.99 0 6 0 83 287.348 4 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-ethyl-2-pyrimidin-2-yl-thiazole-4-carboxamide N-(cyanomethyl)-N-ethyl-2-pyrimi…

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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) 0.80 5.32 -14.37 0 6 0 83 273.321 4 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-ethyl-2-(2-pyrimidin-2-ylthiazol-4-yl)acetamide N-(cyanomethyl)-N-ethyl-2-(2-pyr…

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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) 0.89 5.49 -23.27 0 6 0 83 287.348 5 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-ethyl-4-methyl-2-pyrimidin-2-yl-thiazole-5-carboxamide N-(cyanomethyl)-N-ethyl-4-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) 1.02 4.68 -18.46 0 6 0 83 287.348 4 ↓

Analogs

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Popular Name: N-isobutyl-N-methyl-2-pyrimidin-2-yl-thiazole-4-carboxamide N-isobutyl-N-methyl-2-pyrimidin-…

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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) 1.76 5.75 -11.61 0 5 0 59 276.365 4 ↓

Parameters Provided:

ring.id = 15992
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 = 15992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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