UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45059588
45059588
45059589
45059589
49313898
49313898
49425934
49425934
30870647
30870647

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Popular Name: 6-[methyl-[(3R)-tetrahydrothiophen-3-yl]carbamoyl]pyridine-2-carboxylic 6-[methyl-[(3R)-tetrahydrothioph…

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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) 0.49 6.63 -45.72 0 5 -1 73 265.314 3 ↓

Analogs

45059588
45059588
45059589
45059589
49313898
49313898
49425934
49425934
30870647
30870647

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[methyl-[(3S)-tetrahydrothiophen-3-yl]carbamoyl]pyridine-2-carboxylic 6-[methyl-[(3S)-tetrahydrothioph…

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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) 0.49 6.66 -44.48 0 5 -1 73 265.314 3 ↓

Analogs

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Popular Name: 3-chloro-N-[(3S)-3-cyanotetrahydrothiophen-3-yl]-6-ethoxy-pyridine-2-carboxamide 3-chloro-N-[(3S)-3-cyanotetrahyd…

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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) 2.25 3.63 -11.53 1 5 0 75 311.794 4 ↓

Analogs

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Popular Name: 3-chloro-N-[(3R)-3-cyanotetrahydrothiophen-3-yl]-6-ethoxy-pyridine-2-carboxamide 3-chloro-N-[(3R)-3-cyanotetrahyd…

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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) 2.25 3.63 -12.19 1 5 0 75 311.794 4 ↓

Analogs

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Popular Name: 3,6-dichloro-N-[(3S)-3-cyanotetrahydrothiophen-3-yl]pyridine-2-carboxamide 3,6-dichloro-N-[(3S)-3-cyanotetr…

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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) 2.50 4.55 -11.01 1 4 0 66 302.186 2 ↓

Analogs

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Popular Name: 3,6-dichloro-N-[(3R)-3-cyanotetrahydrothiophen-3-yl]pyridine-2-carboxamide 3,6-dichloro-N-[(3R)-3-cyanotetr…

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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) 2.50 4.55 -11.4 1 4 0 66 302.186 2 ↓

Analogs

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Popular Name: 4-chloro-N-[(3S)-3-cyanotetrahydrothiophen-3-yl]pyridine-2-carboxamide 4-chloro-N-[(3S)-3-cyanotetrahyd…

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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) 1.48 4.13 -12.06 1 4 0 66 267.741 2 ↓

Analogs

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Popular Name: 4-chloro-N-[(3R)-3-cyanotetrahydrothiophen-3-yl]pyridine-2-carboxamide 4-chloro-N-[(3R)-3-cyanotetrahyd…

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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) 1.48 4.12 -12.66 1 4 0 66 267.741 2 ↓

Analogs

37985648
37985648
37985649
37985649

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Popular Name: 4-chloro-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-2-carboxamide 4-chloro-N-methyl-N-[(3R)-tetrah…

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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) 1.87 6.59 -7.26 0 3 0 33 256.758 2 ↓

Analogs

37985648
37985648
37985649
37985649

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-2-carboxamide 4-chloro-N-methyl-N-[(3S)-tetrah…

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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) 1.87 6.63 -7.33 0 3 0 33 256.758 2 ↓

Analogs

37985654
37985654
37985655
37985655

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Popular Name: 3,6-dichloro-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-2-carboxamide 3,6-dichloro-N-methyl-N-[(3R)-te…

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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) 2.89 7.01 -6.5 0 3 0 33 291.203 2 ↓

Analogs

37985654
37985654
37985655
37985655

Draw Identity 99% 90% 80% 70%

Popular Name: 3,6-dichloro-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-2-carboxamide 3,6-dichloro-N-methyl-N-[(3S)-te…

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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) 2.89 7.03 -6.42 0 3 0 33 291.203 2 ↓

Parameters Provided:

ring.id = 111878
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 = 111878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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