UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36697445
36697445
22507148
22507148
6881814
6881814
12781061
12781061
12805120
12805120

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide N-[(3,4-dimethoxyphenyl)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) 4.18 9.57 -15.82 1 5 0 60 408.523 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(1R)-1-(3,4-difluorophenyl)et…

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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) 4.53 10.16 -14.98 1 3 0 42 370.424 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(1S)-1-(3,4-difluorophenyl)et…

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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) 4.53 10.16 -12.9 1 3 0 42 370.424 5 ↓

Analogs

39263218
39263218
39263572
39263572
39263607
39263607
39263609
39263609

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Popular Name: 2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide 2-(4-chlorophenyl)sulfanyl-N-[(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) 4.42 8.94 -11.31 1 4 0 51 384.888 6 ↓

Analogs

39264548
39264548

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Popular Name: N-[(4-hydroxyphenyl)methyl]-N-methyl-2-phenylsulfanyl-pyridine-3-carboxamide N-[(4-hydroxyphenyl)methyl]-N-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) 3.01 8 -15.68 1 4 0 53 350.443 5 ↓

Analogs

22505464
22505464
15653498
15653498

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-[(2,4-dimethoxyphenyl)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) 4.20 8.43 -13.82 1 5 0 60 394.496 7 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-[(2-chlorophenyl)methyl]-2-(p-…

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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) 4.79 10.22 -12.2 1 3 0 42 368.889 5 ↓

Analogs

22505464
22505464
15653498
15653498

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(2,4-dimethoxyphenyl)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) 3.75 7.75 -13.9 1 5 0 60 380.469 7 ↓

Analogs

8626725
8626725
4054505
4054505

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Popular Name: N-[(2-chlorophenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(2-chlorophenyl)methyl]-2-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) 4.34 9.54 -12.22 1 3 0 42 354.862 5 ↓

Analogs

15653498
15653498
6881814
6881814
12805120
12805120

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(2,3-dimethoxyphenyl)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) 3.53 8.95 -14.97 1 5 0 60 380.469 7 ↓

Analogs

15653498
15653498
6881814
6881814
12805120
12805120

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-[(2,3-dimethoxyphenyl)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) 3.98 9.04 -13.98 1 5 0 60 394.496 7 ↓

Analogs

4300662
4300662
4105985
4105985

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Popular Name: N-benzyl-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide N-benzyl-2-(2,5-dimethoxyphenyl)…

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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) 3.75 7.76 -15.35 1 5 0 60 380.469 7 ↓

Analogs

4105985
4105985

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide N-[(2-chlorophenyl)methyl]-2-(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) 4.38 8.17 -15.82 1 5 0 60 414.914 7 ↓

Analogs

6834188
6834188
6834204
6834204

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Popular Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide 2-(2,5-dimethoxyphenyl)sulfanyl-…

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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) 4.48 8.69 -16.48 1 5 0 60 412.486 7 ↓

Analogs

6834188
6834188
6834204
6834204

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide 2-(2,5-dimethoxyphenyl)sulfanyl-…

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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) 4.48 8.69 -16.54 1 5 0 60 412.486 7 ↓

Analogs

41677601
41677601
47141920
47141920
31527684
31527684
7737640
7737640
6646624
6646624

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Popular Name: N-benzyl-N-(2-hydroxyethyl)-2-phenylsulfanyl-pyridine-3-carboxamide N-benzyl-N-(2-hydroxyethyl)-2-ph…

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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) 2.85 8.64 -14.78 1 4 0 53 364.47 7 ↓

Parameters Provided:

ring.id = 148059
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 = 148059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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