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Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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) 3.83 -2.2 -16.65 1 6 0 65 453.998 7 ↓

Analogs

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Popular Name: N-(4-bromo-2-chloro-phenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(4-bromo-2-chloro-phenyl)-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) 4.60 -2.99 -12.43 1 4 0 47 472.842 5 ↓

Analogs

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Popular Name: N-(3-isopropylphenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(3-isopropylphenyl)-2-[(4-phen…

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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) 4.68 -1.45 -14.5 1 4 0 47 401.582 6 ↓

Analogs

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Popular Name: N-(2,5-diethoxyphenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(2,5-diethoxyphenyl)-2-[(4-phe…

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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) 3.98 -2.09 -15.72 1 6 0 65 447.607 9 ↓

Analogs

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Popular Name: ethyl 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) 4.15 -0.87 -18.98 1 6 0 73 457.602 9 ↓

Analogs

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Popular Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]a N-(4-chloro-3-methyl-phenyl)-N-(…

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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) 3.94 0.89 -20.59 0 5 0 62 461.037 7 ↓

Analogs

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Popular Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(3-chloro-2,6-diethyl-phenyl)-…

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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) 4.61 -1.58 -14.76 1 4 0 47 450.054 7 ↓

Analogs

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)-acetamide 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 4.30 -2.77 -14.54 1 4 0 47 440.04 6 ↓

Analogs

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(4-nitrophenyl)-acetamide 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 4.07 -0.28 -17.55 0 7 0 84 452.97 6 ↓

Analogs

20896008
20896008
36772903
36772903
36772904
36772904

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)propanami (2R)-2-[[4-(4-chlorophenyl)-5-th…

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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) 5.51 10.98 -12.15 1 4 0 47 476.863 5 ↓

Analogs

36772903
36772903
36772904
36772904
20896005
20896005

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)propanami (2S)-2-[[4-(4-chlorophenyl)-5-th…

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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) 5.51 10.95 -12.06 1 4 0 47 476.863 5 ↓

Analogs

20896014
20896014
21128479
21128479
21128482
21128482
6543489
6543489
6543492
6543492

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-propanamide (2R)-2-[[4-(4-chlorophenyl)-5-th…

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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) 4.23 10.36 -11.05 1 4 0 47 407.973 5 ↓

Analogs

21128479
21128479
21128482
21128482
6543489
6543489
6543492
6543492
20896011
20896011

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-propanamide (2S)-2-[[4-(4-chlorophenyl)-5-th…

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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) 4.23 10.36 -11.3 1 4 0 47 407.973 5 ↓

Analogs

20896029
20896029
6543512
6543512
6543513
6543513

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-phenyl-propanamide (2R)-2-[[4-(4-chlorophenyl)-5-th…

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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) 4.47 11.47 -12.27 0 4 0 38 422 5 ↓

Analogs

6543512
6543512
6543513
6543513
20896026
20896026

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-phenyl-propanamide (2S)-2-[[4-(4-chlorophenyl)-5-th…

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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) 4.47 11.4 -12.32 0 4 0 38 422 5 ↓

Analogs

20896042
20896042
6543362
6543362
6543365
6543365

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(m-tolyl)propanamide (2R)-2-[[4-(4-chlorophenyl)-5-th…

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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) 4.65 10.49 -13.94 1 4 0 47 422 5 ↓

Analogs

6543362
6543362
6543365
6543365
20896039
20896039

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(m-tolyl)propanamide (2S)-2-[[4-(4-chlorophenyl)-5-th…

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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) 4.65 10.49 -14.13 1 4 0 47 422 5 ↓

Analogs

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,6-dichloro-3-methyl-phenyl)acet 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 5.53 11.44 -12.45 1 4 0 47 476.863 5 ↓

Analogs

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Popular Name: 2-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]terephthalic 2-[[2-[(4-phenyl-5-thioxo-1,3,4-…

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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) 3.12 8.59 -102.49 1 8 -2 127 445.503 7 ↓

Analogs

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Popular Name: 2-[[2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[4-(4-chlorophenyl)-5-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) 3.80 9.11 -99.61 1 8 -2 127 479.948 7 ↓

Parameters Provided:

ring.id = 73572
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 = 73572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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