UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclohexyl-2-(3-nitrophenoxy)pyridine-3-carboxamide N-cyclohexyl-2-(3-nitrophenoxy)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) 3.78 8.49 -17.49 1 7 0 97 341.367 5 ↓

Analogs

38736115
38736115
38736118
38736118
38736123
38736123
38736127
38736127

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Popular Name: N-(4-tert-butylcyclohexyl)-2-(3-nitrophenoxy)pyridine-3-carboxamide N-(4-tert-butylcyclohexyl)-2-(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) 4.88 10.52 -17.68 1 7 0 97 397.475 6 ↓

Analogs

38736118
38736118
38736123
38736123
38736127
38736127
38736079
38736079

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Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide N-[(1S,3R)-3-methylcyclohexyl]-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) 3.78 9.13 -17.57 1 7 0 97 355.394 5 ↓

Analogs

38736123
38736123
38736127
38736127
38736079
38736079
38736115
38736115

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Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide N-[(1S,3S)-3-methylcyclohexyl]-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) 3.78 9.54 -16.84 1 7 0 97 355.394 5 ↓

Analogs

38736127
38736127
38736079
38736079
38736115
38736115
38736118
38736118

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Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide N-[(1R,3R)-3-methylcyclohexyl]-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) 3.78 9.55 -16.99 1 7 0 97 355.394 5 ↓

Analogs

38736079
38736079
38736115
38736115
38736118
38736118
38736123
38736123

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide N-[(1R,3S)-3-methylcyclohexyl]-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) 3.78 9.14 -17.67 1 7 0 97 355.394 5 ↓

Analogs

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Popular Name: N-(4-tert-butylcyclohexyl)-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-(4-tert-butylcyclohexyl)-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) 5.77 11.05 -15.19 1 4 0 51 380.532 5 ↓

Analogs

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Popular Name: N-(4-tert-butylcyclohexyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide N-(4-tert-butylcyclohexyl)-2-(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) 5.11 9.87 -13.47 1 4 0 51 370.468 5 ↓

Analogs

150702
150702

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Popular Name: N-(4-tert-butylcyclohexyl)-2-(4-methylphenoxy)pyridine-3-carboxamide N-(4-tert-butylcyclohexyl)-2-(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) 5.39 10.43 -15.43 1 4 0 51 366.505 5 ↓

Analogs

25378666
25378666
25378658
25378658
150702
150702

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Popular Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-(4-methylphenoxy)pyridine-3-carboxamide N-[(1S,2S)-2-hydroxycyclohexyl]-…

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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) 3.14 5.17 -18.06 2 5 0 71 326.396 4 ↓

Analogs

25378658
25378658
25378666
25378666
13860726
13860726

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Popular Name: 2-(4-fluorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-[(1S,2S)-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) 2.86 4.61 -15.88 2 5 0 71 330.359 4 ↓

Analogs

25378658
25378658
25378666
25378666
6218637
6218637

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Popular Name: 2-(2,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-[(1S,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) 3.52 5.79 -17.84 2 5 0 71 340.423 4 ↓

Parameters Provided:

ring.id = 333935
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 = 333935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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