UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2787729
2787729
2787730
2787730

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Popular Name: (2R)-N-(2-adamantyl)-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide (2R)-N-(2-adamantyl)-2-methyl-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) 3.31 0.6 -11.81 1 7 0 92 346.431 5 ↓

Analogs

2787729
2787729
2787730
2787730

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Popular Name: (2S)-N-(2-adamantyl)-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide (2S)-N-(2-adamantyl)-2-methyl-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) 3.31 0.63 -11.66 1 7 0 92 346.431 5 ↓

Analogs

2793525
2793525
2792717
2792717
2792718
2792718

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Popular Name: (2R)-N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide (2R)-N-(2-adamantyl)-2-methyl-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) 4.37 1.91 -8.61 1 4 0 46 369.431 5 ↓

Analogs

2792717
2792717
2792718
2792718

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide (2S)-N-(2-adamantyl)-2-methyl-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) 4.37 1.96 -8.47 1 4 0 46 369.431 5 ↓

Analogs

13959876
13959876
13959877
13959877

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Popular Name: N-(2-adamantyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide N-(2-adamantyl)-3-[4-chloro-5-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) 4.50 1.14 -8.97 1 4 0 46 389.849 5 ↓

Analogs

6555369
6555369
6921776
6921776
6921777
6921777
8480539
8480539

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Popular Name: N-(2-adamantyl)-3-(5-methyl-4-nitro-pyrazol-1-yl)propionamide N-(2-adamantyl)-3-(5-methyl-4-ni…

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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) 2.64 -0.14 -10.45 1 7 0 92 332.404 5 ↓

Analogs

6555370
6555370
2782229
2782229

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Popular Name: N-(2-adamantyl)-3-(4-bromo-3-methyl-pyrazol-1-yl)propionamide N-(2-adamantyl)-3-(4-bromo-3-met…

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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) 3.49 -1.31 -7.24 1 4 0 46 366.303 4 ↓

Parameters Provided:

ring.id = 236235
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 = 236235 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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