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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: 3-[(4-chlorophenyl)methyl]-5-[(3S)-3-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]-1,2,4-thiadiazole 3-[(4-chlorophenyl)methyl]-5-[(3…

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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) 4.88 10.16 -11.05 0 6 0 66 463.028 5 ↓

Analogs

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Popular Name: N-[4-[(2R)-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]sulfonylphen N-[4-[(2R)-4-[3-[(4-chlorophenyl…

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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) 3.65 8.58 -16.95 1 8 0 96 506.053 6 ↓

Analogs

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Popular Name: N-[4-[(2S)-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]sulfonylphen N-[4-[(2S)-4-[3-[(4-chlorophenyl…

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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) 3.65 8.36 -16.45 1 8 0 96 506.053 6 ↓

Analogs

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Popular Name: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,2,4-thiadiazole 3-[(4-fluorophenyl)methyl]-5-[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) 4.46 9.48 -13.99 0 6 0 66 486.516 6 ↓

Analogs

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Popular Name: 5-[(3R)-4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiaz 5-[(3R)-4-(4-bromophenyl)sulfony…

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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) 4.73 9.87 -11.47 0 6 0 66 511.442 5 ↓

Analogs

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Popular Name: 5-[(3S)-4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiaz 5-[(3S)-4-(4-bromophenyl)sulfony…

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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) 4.73 9.63 -11.03 0 6 0 66 511.442 5 ↓

Analogs

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Popular Name: 3-[(4-fluorophenyl)methyl]-5-[(3S)-3-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]-1,2,4-thiadiazole 3-[(4-fluorophenyl)methyl]-5-[(3…

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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) 4.37 9.7 -11.5 0 6 0 66 446.573 5 ↓

Analogs

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Popular Name: N-[4-[(2R)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]sulfonylphen N-[4-[(2R)-4-[3-[(4-fluorophenyl…

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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 8.13 -17.48 1 8 0 96 489.598 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(2S)-4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]sulfonylphen N-[4-[(2S)-4-[3-[(4-fluorophenyl…

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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 7.91 -17 1 8 0 96 489.598 6 ↓

Parameters Provided:

ring.id = 16702
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 = 16702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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