UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28218855
28218855
28218858
28218858
5045022
5045022

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Popular Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclohexanecarboxamide N-[(1,3-dimethylpyrazol-4-yl)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) 1.71 5.23 -9.46 1 4 0 47 235.331 3 ↓

Analogs

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Popular Name: N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexanecarboxamide N-methyl-N-(1H-pyrazol-4-ylmethy…

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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) 1.66 5.24 -12.14 1 4 0 49 221.304 3 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1R,2S)-N-[(1-methylpyrazol-4-yl…

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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) 2.27 5.27 -9.56 1 4 0 47 289.301 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1S,2S)-N-[(1-methylpyrazol-4-yl…

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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) 2.27 5.26 -9.27 1 4 0 47 289.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1R,2R)-N-[(1-methylpyrazol-4-yl…

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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) 2.27 5.31 -9.99 1 4 0 47 289.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1S,2R)-N-[(1-methylpyrazol-4-yl…

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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) 2.27 5.25 -8.82 1 4 0 47 289.301 4 ↓

Analogs

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Popular Name: 1-acetamido-N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide 1-acetamido-N-[(1-methylpyrazol-…

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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) 0.32 3.55 -16.91 2 6 0 76 278.356 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide N-[(1R)-1-(1,3,5-trimethylpyrazo…

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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) 2.49 6.51 -9.63 1 4 0 47 263.385 3 ↓
Lo Low (pH 4.5-6) 2.49 6.64 -34.76 2 4 1 48 264.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide N-[(1S)-1-(1,3,5-trimethylpyrazo…

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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) 2.49 6.54 -11.17 1 4 0 47 263.385 3 ↓
Lo Low (pH 4.5-6) 2.49 6.67 -34.37 2 4 1 48 264.393 3 ↓

Parameters Provided:

ring.id = 56563
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 = 56563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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