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

42763734
42763734

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Popular Name: 5-chloro-4-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[4-(2,2-difluoroethy…

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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 1.28 -6.3 0 4 0 32 282.747 4 ↓
Mid Mid (pH 6-8) 1.84 3.53 -34.82 1 4 1 33 283.755 4 ↓

Analogs

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Popular Name: 5-chloro-4-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[(2S,6R)-2,6-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) 1.33 1.19 -37.61 2 4 1 46 247.775 2 ↓
Hi High (pH 8-9.5) 1.33 -0.15 -3.56 1 4 0 41 246.767 2 ↓

Analogs

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Popular Name: 5-chloro-4-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[(2S,6S)-2,6-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) 1.33 1.4 -40.84 2 4 1 46 247.775 2 ↓
Hi High (pH 8-9.5) 1.33 0.23 -3.77 1 4 0 41 246.767 2 ↓

Analogs

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Popular Name: 5-chloro-4-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[(2R,6R)-2,6-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) 1.33 1.57 -39.19 2 4 1 46 247.775 2 ↓
Hi High (pH 8-9.5) 1.33 0.4 -3.28 1 4 0 41 246.767 2 ↓

Analogs

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Popular Name: 5-chloro-4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[4-[(1R)-1-methylpro…

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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 4.26 -33.64 1 4 1 33 275.829 4 ↓
Hi High (pH 8-9.5) 2.48 2.35 -3.48 0 4 0 32 274.821 4 ↓

Analogs

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Popular Name: 5-chloro-4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[4-[(1S)-1-methylpro…

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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 4.28 -33.81 1 4 1 33 275.829 4 ↓
Hi High (pH 8-9.5) 2.48 2.36 -3.45 0 4 0 32 274.821 4 ↓

Analogs

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Popular Name: 4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazol-5-amine 4-[[4-[(1R)-1-methylpropyl]piper…

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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) 1.28 1.96 -36.38 3 5 1 59 256.399 4 ↓
Hi High (pH 8-9.5) 1.28 0.02 -7.45 2 5 0 58 255.391 4 ↓

Analogs

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Popular Name: 4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazol-5-amine 4-[[4-[(1S)-1-methylpropyl]piper…

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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) 1.28 1.83 -39.8 3 5 1 59 256.399 4 ↓
Hi High (pH 8-9.5) 1.28 -0.08 -7.52 2 5 0 58 255.391 4 ↓

Analogs

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Popular Name: N-methyl-4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazol-5-amine N-methyl-4-[[4-[(1R)-1-methylpro…

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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) 1.65 2.99 -36.09 2 5 1 45 270.426 5 ↓
Hi High (pH 8-9.5) 1.65 1.06 -7.46 1 5 0 44 269.418 5 ↓

Analogs

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Popular Name: N-methyl-4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazol-5-amine N-methyl-4-[[4-[(1S)-1-methylpro…

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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) 1.65 3.04 -39.38 2 5 1 45 270.426 5 ↓
Hi High (pH 8-9.5) 1.65 1.14 -7.46 1 5 0 44 269.418 5 ↓

Analogs

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Popular Name: N-ethyl-4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazol-5-amine N-ethyl-4-[[4-[(1R)-1-methylprop…

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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) 2.03 3.86 -38.54 2 5 1 45 284.453 6 ↓
Hi High (pH 8-9.5) 2.03 1.94 -6.6 1 5 0 44 283.445 6 ↓

Analogs

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Popular Name: N-ethyl-4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazol-5-amine N-ethyl-4-[[4-[(1S)-1-methylprop…

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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) 2.03 3.87 -38.62 2 5 1 45 284.453 6 ↓
Hi High (pH 8-9.5) 2.03 1.96 -6.66 1 5 0 44 283.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]-N-propyl-thiadiazol-5-amine 4-[[4-[(1S)-1-methylpropyl]piper…

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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) 2.53 4.57 -35.28 2 5 1 45 298.48 7 ↓
Hi High (pH 8-9.5) 2.53 2.66 -6.41 1 5 0 44 297.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]-N-propyl-thiadiazol-5-amine 4-[[4-[(1R)-1-methylpropyl]piper…

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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) 2.53 4.62 -38.66 2 5 1 45 298.48 7 ↓
Hi High (pH 8-9.5) 2.53 2.67 -6.37 1 5 0 44 297.472 7 ↓

Analogs

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Popular Name: [4-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazol-5-yl]hydrazine [4-[[4-[(1R)-1-methylpropyl]pipe…

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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) 1.04 1.75 -37.21 4 6 1 72 271.414 5 ↓
Hi High (pH 8-9.5) 1.04 -0.18 -7.76 3 6 0 70 270.406 5 ↓
Lo Low (pH 4.5-6) 1.04 1.58 -101.62 5 6 2 73 272.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]thiadiazol-5-yl]hydrazine [4-[[4-[(1S)-1-methylpropyl]pipe…

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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) 1.04 1.6 -40.69 4 6 1 72 271.414 5 ↓
Hi High (pH 8-9.5) 1.04 -0.32 -7.79 3 6 0 70 270.406 5 ↓
Lo Low (pH 4.5-6) 1.04 1.43 -110.93 5 6 2 73 272.422 5 ↓

Analogs

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Popular Name: 4-[(4-isobutylpiperazin-1-yl)methyl]thiadiazol-5-amine 4-[(4-isobutylpiperazin-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) 1.19 2.16 -41.5 3 5 1 59 256.399 4 ↓
Hi High (pH 8-9.5) 1.19 0.19 -7.76 2 5 0 58 255.391 4 ↓

Analogs

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Popular Name: 4-[(4-isobutylpiperazin-1-yl)methyl]-N-methyl-thiadiazol-5-amine 4-[(4-isobutylpiperazin-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) 1.57 3.37 -41.13 2 5 1 45 270.426 5 ↓
Hi High (pH 8-9.5) 1.57 1.41 -7.65 1 5 0 44 269.418 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[(4-isobutylpiperazin-1-yl)methyl]thiadiazol-5-amine N-ethyl-4-[(4-isobutylpiperazin-…

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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) 1.94 4.19 -40.31 2 5 1 45 284.453 6 ↓
Hi High (pH 8-9.5) 1.94 2.23 -6.8 1 5 0 44 283.445 6 ↓

Analogs

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Popular Name: 4-[(4-isobutylpiperazin-1-yl)methyl]-N-propyl-thiadiazol-5-amine 4-[(4-isobutylpiperazin-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) 2.45 4.95 -40.33 2 5 1 45 298.48 7 ↓
Hi High (pH 8-9.5) 2.45 2.98 -6.62 1 5 0 44 297.472 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-isobutylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine [4-[(4-isobutylpiperazin-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) 0.95 2.08 -38.55 4 6 1 72 271.414 5 ↓
Hi High (pH 8-9.5) 0.95 0.13 -7.86 3 6 0 70 270.406 5 ↓
Lo Low (pH 4.5-6) 0.95 1.91 -103.69 5 6 2 73 272.422 5 ↓

Analogs

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Popular Name: 5-chloro-4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[(3R)-3-ethyl-4-(2-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) 2.12 4 -31.9 1 5 1 43 305.855 6 ↓
Mid Mid (pH 6-8) 2.12 1.85 -4.69 0 5 0 41 304.847 6 ↓
Mid Mid (pH 6-8) 2.12 4.11 -32.39 1 5 1 43 305.855 6 ↓

Analogs

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Popular Name: 5-chloro-4-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]thiadiazole 5-chloro-4-[[(3S)-3-ethyl-4-(2-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) 2.12 3.43 -32.92 1 5 1 43 305.855 6 ↓
Mid Mid (pH 6-8) 2.12 1.19 -4.75 0 5 0 41 304.847 6 ↓
Mid Mid (pH 6-8) 2.12 3.42 -33.68 1 5 1 43 305.855 6 ↓

Parameters Provided:

ring.id = 29592
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 = 29592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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