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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4-[(4-nitroimidazol-1-yl)methyl]-2-propyl-thiazole 4-[(4-nitroimidazol-1-yl)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) 1.63 8.77 -15.84 0 6 0 77 252.299 5 ↓
Lo Low (pH 4.5-6) 1.63 9.24 -40.05 1 6 1 78 253.307 5 ↓

Analogs

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Popular Name: N-[[4-(imidazol-1-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-(imidazol-1-ylmethyl)thiaz…

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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 7.07 -43.71 2 4 1 47 251.379 6 ↓
Hi High (pH 8-9.5) 1.17 5.73 -10.14 1 4 0 43 250.371 6 ↓
Mid Mid (pH 6-8) 1.17 7.58 -86.89 3 4 2 49 252.387 6 ↓

Analogs

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Popular Name: N-[[4-(imidazol-1-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-(imidazol-1-ylmethyl)thiaz…

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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 6.58 -39.09 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.24 5.36 -10.08 1 4 0 43 250.371 5 ↓
Mid Mid (pH 6-8) 1.24 7.1 -82.58 3 4 2 49 252.387 5 ↓

Analogs

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Popular Name: [4-(imidazol-1-ylmethyl)thiazol-2-yl]methanamine [4-(imidazol-1-ylmethyl)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) -0.32 2.92 -47.9 3 4 1 58 195.271 3 ↓
Hi High (pH 8-9.5) -0.32 2.51 -10.94 2 4 0 57 194.263 3 ↓
Mid Mid (pH 6-8) -0.32 3.43 -91.05 4 4 2 60 196.279 3 ↓

Analogs

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Popular Name: 1-[4-(imidazol-1-ylmethyl)thiazol-2-yl]-N-methyl-methanamine 1-[4-(imidazol-1-ylmethyl)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) 0.05 4.79 -42.19 2 4 1 47 209.298 4 ↓
Hi High (pH 8-9.5) 0.05 3.35 -10.6 1 4 0 43 208.29 4 ↓
Mid Mid (pH 6-8) 0.05 5.3 -85.95 3 4 2 49 210.306 4 ↓

Analogs

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Popular Name: N-[[4-(imidazol-1-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(imidazol-1-ylmethyl)thiaz…

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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) 0.42 5.62 -42.87 2 4 1 47 223.325 5 ↓
Hi High (pH 8-9.5) 0.42 4.28 -10.42 1 4 0 43 222.317 5 ↓
Mid Mid (pH 6-8) 0.42 6.14 -85.14 3 4 2 49 224.333 5 ↓

Analogs

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Popular Name: N-[[4-(imidazol-1-ylmethyl)thiazol-2-yl]methyl]propan-2-amine N-[[4-(imidazol-1-ylmethyl)thiaz…

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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) 0.72 6.16 -40.9 2 4 1 47 237.352 5 ↓
Hi High (pH 8-9.5) 0.72 4.97 -10.21 1 4 0 43 236.344 5 ↓
Mid Mid (pH 6-8) 0.72 6.66 -83.91 3 4 2 49 238.36 5 ↓

Analogs

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Popular Name: N-[[4-(imidazol-1-ylmethyl)thiazol-2-yl]methyl]propan-1-amine N-[[4-(imidazol-1-ylmethyl)thiaz…

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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) 0.93 6.38 -43.6 2 4 1 47 237.352 6 ↓
Hi High (pH 8-9.5) 0.93 5.04 -10.29 1 4 0 43 236.344 6 ↓
Mid Mid (pH 6-8) 0.93 6.89 -86.6 3 4 2 49 238.36 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-[(2-methylimidazol-1-yl)methyl]thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[4-[(2-methylimidazo…

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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) 1.26 7.48 -84.66 3 4 2 49 266.414 6 ↓
Hi High (pH 8-9.5) 1.26 5.88 -8.78 1 4 0 43 264.398 6 ↓
Mid Mid (pH 6-8) 1.26 7.01 -44.65 2 4 1 47 265.406 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-[(2-methylimidazol-1-yl)methyl]thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[4-[(2-methylimidazo…

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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 6.98 -80.17 3 4 2 49 266.414 5 ↓
Hi High (pH 8-9.5) 1.32 5.36 -8.77 1 4 0 43 264.398 5 ↓
Mid Mid (pH 6-8) 1.32 6.5 -40.1 2 4 1 47 265.406 5 ↓

Analogs

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Popular Name: [4-[(2-methylimidazol-1-yl)methyl]thiazol-2-yl]methanamine [4-[(2-methylimidazol-1-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) -0.24 3.4 -89.02 4 4 2 60 210.306 3 ↓
Hi High (pH 8-9.5) -0.24 2.52 -11.1 2 4 0 57 208.29 3 ↓
Mid Mid (pH 6-8) -0.24 2.99 -27.63 3 4 1 58 209.298 3 ↓

Analogs

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Popular Name: N-methyl-1-[4-[(2-methylimidazol-1-yl)methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[(2-methylimidazol…

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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) 0.14 5.27 -83.67 3 4 2 49 224.333 4 ↓
Hi High (pH 8-9.5) 0.14 3.35 -9.27 1 4 0 43 222.317 4 ↓
Mid Mid (pH 6-8) 0.14 4.8 -42.88 2 4 1 47 223.325 4 ↓

Analogs

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Popular Name: N-[[4-[(2-methylimidazol-1-yl)methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[(2-methylimidazol-1-yl)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) 0.51 6.03 -82.86 3 4 2 49 238.36 5 ↓
Hi High (pH 8-9.5) 0.51 4.27 -10.55 1 4 0 43 236.344 5 ↓
Mid Mid (pH 6-8) 0.51 5.55 -43.96 2 4 1 47 237.352 5 ↓

Analogs

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Popular Name: N-[[4-[(2-methylimidazol-1-yl)methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[(2-methylimidazol-1-yl)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) 0.81 6.56 -81.56 3 4 2 49 252.387 5 ↓
Hi High (pH 8-9.5) 0.81 4.96 -8.86 1 4 0 43 250.371 5 ↓
Mid Mid (pH 6-8) 0.81 6.09 -41.97 2 4 1 47 251.379 5 ↓

Analogs

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Popular Name: N-[[4-[(2-methylimidazol-1-yl)methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[(2-methylimidazol-1-yl)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) 1.02 6.78 -84.29 3 4 2 49 252.387 6 ↓
Hi High (pH 8-9.5) 1.02 5.04 -10.46 1 4 0 43 250.371 6 ↓
Mid Mid (pH 6-8) 1.02 6.31 -44.71 2 4 1 47 251.379 6 ↓

Analogs

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Popular Name: 4-[(2-isopropylimidazol-1-yl)methyl]thiazole 4-[(2-isopropylimidazol-1-yl)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) 1.90 6.24 -27.3 1 3 1 32 208.31 3 ↓
Mid Mid (pH 6-8) 1.90 5.71 -9.23 0 3 0 31 207.302 3 ↓

Analogs

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Popular Name: 4-[(2-propylimidazol-1-yl)methyl]thiazole 4-[(2-propylimidazol-1-yl)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) 1.92 6.45 -28.25 1 3 1 32 208.31 4 ↓
Mid Mid (pH 6-8) 1.92 6.21 -9.67 0 3 0 31 207.302 4 ↓

Analogs

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Popular Name: 4-[(2-propylimidazol-1-yl)methyl]thiazol-2-amine 4-[(2-propylimidazol-1-yl)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) 1.53 5.46 -28.27 3 4 1 58 223.325 4 ↓
Mid Mid (pH 6-8) 1.53 5.21 -9.95 2 4 0 57 222.317 4 ↓

Analogs

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Popular Name: [4-[(2-propylimidazol-1-yl)methyl]thiazol-2-yl]methanamine [4-[(2-propylimidazol-1-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) 0.84 4.55 -88.6 4 4 2 60 238.36 5 ↓
Hi High (pH 8-9.5) 0.84 3.89 -9.19 2 4 0 57 236.344 5 ↓
Mid Mid (pH 6-8) 0.84 4.14 -28.58 3 4 1 58 237.352 5 ↓

Analogs

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Popular Name: 4-[(2-ethylimidazol-1-yl)methyl]thiazole-2-carboxylic 4-[(2-ethylimidazol-1-yl)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) 0.72 6.24 -53.13 1 5 0 72 237.284 4 ↓
Mid Mid (pH 6-8) 0.72 5.99 -53.44 0 5 -1 71 236.276 4 ↓

Analogs

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Popular Name: N-methyl-N-[4-[(2-methyl-5-nitro-imidazol-1-yl)methyl]thiazol-2-yl]acetamide N-methyl-N-[4-[(2-methyl-5-nitro…

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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) 0.52 7.87 -13.22 0 8 0 97 295.324 4 ↓

Analogs

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Popular Name: 2-[1-[(2-methylthiazol-4-yl)methyl]imidazol-2-yl]sulfanylacetic 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) 0.64 6.6 -54.24 0 5 -1 71 268.343 5 ↓
Mid Mid (pH 6-8) 0.64 7.08 -46.85 1 5 0 72 269.351 5 ↓

Parameters Provided:

ring.id = 177405
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 = 177405 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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