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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]thiazol-2-yl]acetamide N-[4-[[4-(2,2,2-trifluoroacetyl)…

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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) 0.65 2.88 -15.84 1 7 0 90 319.268 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(2-propylthiazol-4-yl)methyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(2-propylt…

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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 5.12 -11.25 0 5 0 61 304.297 6 ↓

Analogs

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Popular Name: 1-[1-[(2-ethylthiazol-4-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(2-ethylthiazol-4-yl)methy…

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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) 1.59 4.23 -11.47 0 5 0 61 290.27 5 ↓

Analogs

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Popular Name: 1-[1-[(2-tert-butylthiazol-4-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(2-tert-butylthiazol-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) 2.74 5.43 -9.03 0 5 0 61 318.324 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(2-isopropylthiazol-4-yl)methyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(2-isoprop…

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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 4.82 -9.25 0 5 0 61 304.297 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(2-methylthiazol-4-yl)methyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(2-methylt…

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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 3.47 -11.52 0 5 0 61 276.243 4 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(thiazol-4-ylmethyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(thiazol-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) 1.30 2.73 -11.44 0 5 0 61 262.216 4 ↓

Analogs

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Popular Name: 2-[1-[(2-methylthiazol-4-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(2-methylthiazol-4-yl)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) 0.76 1.82 -49.69 3 5 1 71 238.34 3 ↓
Hi High (pH 8-9.5) 0.76 1.56 -10.85 2 5 0 70 237.332 3 ↓

Analogs

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Popular Name: 2-[1-(thiazol-4-ylmethyl)triazol-4-yl]propan-2-amine 2-[1-(thiazol-4-ylmethyl)triazol…

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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) 1.05 1.1 -52.26 3 5 1 71 224.313 3 ↓
Hi High (pH 8-9.5) 1.05 0.84 -11.62 2 5 0 70 223.305 3 ↓

Analogs

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Popular Name: 2-[1-[(2-propylthiazol-4-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(2-propylthiazol-4-yl)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) 1.84 3.34 -49.25 3 5 1 71 266.394 5 ↓
Hi High (pH 8-9.5) 1.84 3.09 -10.68 2 5 0 70 265.386 5 ↓

Analogs

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Popular Name: 2-[1-[(2-ethylthiazol-4-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(2-ethylthiazol-4-yl)methy…

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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) 1.33 2.58 -49.47 3 5 1 71 252.367 4 ↓
Hi High (pH 8-9.5) 1.33 2.32 -11.37 2 5 0 70 251.359 4 ↓

Analogs

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Popular Name: 2-[1-[(2-tert-butylthiazol-4-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(2-tert-butylthiazol-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) 2.48 3.66 -47.49 3 5 1 71 280.421 4 ↓
Hi High (pH 8-9.5) 2.48 3.41 -8.4 2 5 0 70 279.413 4 ↓

Analogs

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Popular Name: N-[4-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[[4-(1-amino-1-methyl-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 3.9 -54.29 3 7 1 92 309.419 5 ↓
Hi High (pH 8-9.5) 1.01 3.64 -20.24 2 7 0 90 308.411 5 ↓

Analogs

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Popular Name: N-[4-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]thiazol-2-yl]acetamide N-[4-[[4-(1-amino-1-methyl-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.39 1.1 -55.47 4 7 1 100 281.365 4 ↓
Hi High (pH 8-9.5) 0.39 0.84 -15.73 3 7 0 99 280.357 4 ↓

Analogs

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Popular Name: 2-[1-[(2-isopropylthiazol-4-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(2-isopropylthiazol-4-yl)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) 1.82 3.17 -47.75 3 5 1 71 266.394 4 ↓
Hi High (pH 8-9.5) 1.82 2.92 -9.01 2 5 0 70 265.386 4 ↓

Analogs

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Popular Name: 2-[4-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]thiazol-2-yl]-N,N-dimethyl-acetamide 2-[4-[[4-(1-amino-1-methyl-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.13 2.05 -61.21 3 7 1 92 309.419 5 ↓
Hi High (pH 8-9.5) -0.13 1.79 -21.46 2 7 0 90 308.411 5 ↓

Parameters Provided:

ring.id = 103856
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 = 103856 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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