UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(2R)-2-(dimethylamino)-2-(3-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) 3.96 10.31 -47.58 2 5 1 56 408.547 8 ↓
Mid Mid (pH 6-8) 3.96 8.41 -14.22 1 5 0 54 407.539 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-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) 3.96 10.32 -48.34 2 5 1 56 408.547 8 ↓
Mid Mid (pH 6-8) 3.96 7.78 -13.17 1 5 0 54 407.539 8 ↓

Analogs

6840771
6840771

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Popular Name: N-[2-(3-fluorophenyl)ethyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-[2-(3-fluorophenyl)ethyl]-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) 4.71 10.65 -15.37 1 3 0 42 366.461 6 ↓

Analogs

6840771
6840771
3422794
3422794

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Popular Name: N-[2-(3-fluorophenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[2-(3-fluorophenyl)ethyl]-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) 4.26 9.97 -15.42 1 3 0 42 352.434 6 ↓

Analogs

3422794
3422794
6840771
6840771

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[2-(4-chlorophenyl)ethyl]-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) 4.80 10.42 -14.72 1 3 0 42 368.889 6 ↓

Analogs

3422794
3422794
6587426
6587426
3438917
3438917

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Popular Name: N-(1,1-dimethyl-2-phenyl-ethyl)-2-phenylsulfanyl-pyridine-3-carboxamide N-(1,1-dimethyl-2-phenyl-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) 4.93 10.83 -12.66 1 3 0 42 362.498 6 ↓

Analogs

3438917
3438917
3422794
3422794

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Popular Name: N-(1,1-dimethyl-2-phenyl-ethyl)-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-(1,1-dimethyl-2-phenyl-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) 5.38 11.51 -12.65 1 3 0 42 376.525 6 ↓

Analogs

3438917
3438917
12926480
12926480
3422794
3422794

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Popular Name: N-[(1S)-1-benzyl-2-methoxy-ethyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-[(1S)-1-benzyl-2-methoxy-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) 4.54 10.76 -12.7 1 4 0 51 392.524 8 ↓

Analogs

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Popular Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)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) 2.85 3.5 -25.28 3 8 0 121 473.576 9 ↓

Analogs

3422794
3422794

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-[2-(4-chlorophenyl)ethyl]-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) 5.25 11.1 -14.67 1 3 0 42 382.916 6 ↓

Parameters Provided:

ring.id = 323857
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 = 323857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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