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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1,N4-bis(4-methoxyphenyl)-2-methyl-piperazine-1,4-dicarbothioamide (2R)-N1,N4-bis(4-methoxyphenyl)-…

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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) 3.18 9.5 -18.36 2 6 0 49 430.599 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1,N4-bis(4-methoxyphenyl)-2-methyl-piperazine-1,4-dicarbothioamide (2S)-N1,N4-bis(4-methoxyphenyl)-…

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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) 3.18 9.46 -17.32 2 6 0 49 430.599 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N~1~,N~4~-diphenyltetrahydro-1,4-pyrazinedicarbothioamide 2,5-dimethyl-N~1~,N~4~-diphenylt…

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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) 3.40 10.35 -11.74 2 4 0 31 384.574 6 ↓

Analogs

19840993
19840993

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(2,4-dimethylphenyl)piperazine-1,4-dicarbothioamide N,N'-bis(2,4-dimethylphenyl)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) 4.39 14.03 -15.8 2 4 0 31 412.628 6 ↓

Analogs

5913747
5913747
7557860
7557860
39975396
39975396
39975401
39975401
39975403
39975403

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(3-chloro-4-fluoro-phenyl)piperazine-1,4-dicarbothioamide N,N'-bis(3-chloro-4-fluoro-pheny…

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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) 4.28 12.29 -18.21 2 4 0 31 461.39 6 ↓

Analogs

33752764
33752764
39970455
39970455

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(2,5-dichlorophenyl)piperazine-1,4-dicarbothioamide N,N'-bis(2,5-dichlorophenyl)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) 5.31 13.49 -13.95 2 4 0 31 494.3 6 ↓

Analogs

7350691
7350691
39971770
39971770

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(2-ethylphenyl)piperazine-1,4-dicarbothioamide N,N'-bis(2-ethylphenyl)piperazin…

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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 -2.45 -15.12 2 4 0 30 412.628 8 ↓

Analogs

4560858
4560858
5569888
5569888
25329609
25329609

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(2-methoxyphenyl)piperazine-1,4-dicarbothioamide N,N'-bis(2-methoxyphenyl)piperaz…

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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) 2.75 9.98 -16.2 2 6 0 49 416.572 8 ↓

Analogs

6331123
6331123
2782129
2782129

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(2,3-dimethylphenyl)piperazine-1,4-dicarbothioamide N,N'-bis(2,3-dimethylphenyl)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) 4.34 -2.09 -18.65 2 4 0 30 412.628 6 ↓

Analogs

7522491
7522491
39971785
39971785
39975422
39975422
39975424
39975424
305314
305314

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(2,5-dimethylphenyl)piperazine-1,4-dicarbothioamide N,N'-bis(2,5-dimethylphenyl)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) 4.39 -2.32 -16.1 2 4 0 30 412.628 6 ↓

Analogs

7522485
7522485
453022
453022

Draw Identity 99% 90% 80% 70%

Popular Name: N,N'-bis(p-tolyl)piperazine-1,4-dicarbothioamide N,N'-bis(p-tolyl)piperazine-1,4-…

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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) 3.63 -2.97 -18.84 2 4 0 30 384.574 6 ↓

Parameters Provided:

ring.id = 173176
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 = 173176 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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