UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide N-[(1S,3R)-3-methylcyclohexyl]-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) 0.30 0.45 -14.46 3 7 0 107 314.411 5 ↓
Hi High (pH 8-9.5) 0.30 0.93 -43.1 2 7 -1 105 313.403 5 ↓

Analogs

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Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide N-[(1S,3S)-3-methylcyclohexyl]-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) 0.30 0.87 -14.01 3 7 0 107 314.411 5 ↓
Hi High (pH 8-9.5) 0.30 1.35 -42.64 2 7 -1 105 313.403 5 ↓

Analogs

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Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide N-[(1R,3R)-3-methylcyclohexyl]-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) 0.30 0.87 -14.05 3 7 0 107 314.411 5 ↓
Hi High (pH 8-9.5) 0.30 1.35 -42.64 2 7 -1 105 313.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide N-[(1R,3S)-3-methylcyclohexyl]-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) 0.30 0.45 -14.46 3 7 0 107 314.411 5 ↓
Hi High (pH 8-9.5) 0.30 0.93 -43.11 2 7 -1 105 313.403 5 ↓

Analogs

26531295
26531295
2777556
2777556
2779030
2779030

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Popular Name: N-(4-tert-butylcyclohexyl)-3-(4-nitropyrazol-1-yl)propionamide N-(4-tert-butylcyclohexyl)-3-(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) 2.65 0.92 -10.3 1 7 0 92 322.409 6 ↓

Analogs

2793524
2793524
2793525
2793525

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Popular Name: (2R)-2-methyl-N-(4-methylcyclohexyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide (2R)-2-methyl-N-(4-methylcyclohe…

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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) 3.27 2.33 -9.11 1 4 0 46 331.382 5 ↓

Analogs

2793524
2793524
2793525
2793525

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Popular Name: (2S)-2-methyl-N-(4-methylcyclohexyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide (2S)-2-methyl-N-(4-methylcyclohe…

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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) 3.27 2.31 -9.2 1 4 0 46 331.382 5 ↓

Analogs

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Popular Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N-cyclohexyl-propionamide 3-(4-bromo-3-methyl-pyrazol-1-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) 2.63 -1.53 -7.48 1 4 0 46 314.227 4 ↓

Analogs

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Popular Name: 3-(4-methylpyrazol-1-yl)-N-(4-propylcyclohexyl)propanamide 3-(4-methylpyrazol-1-yl)-N-(4-pr…

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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) 3.06 8.07 -7.43 1 4 0 47 277.412 6 ↓

Analogs

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Popular Name: N-cyclohexyl-3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)propanamide N-cyclohexyl-3-(3,5-dimethylpyra…

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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) 1.73 5.55 -10.29 1 5 0 58 293.411 6 ↓

Analogs

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Popular Name: N-cyclohexyl-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-ethyl-propanamide N-cyclohexyl-3-(3,5-dimethyl-4-n…

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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) 2.62 9.6 -9.36 0 7 0 84 322.409 6 ↓

Analogs

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Popular Name: N-(4-butylcyclohexyl)-3-(4-methylpyrazol-1-yl)propanamide N-(4-butylcyclohexyl)-3-(4-methy…

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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) 3.57 8.85 -7.35 1 4 0 47 291.439 7 ↓

Parameters Provided:

ring.id = 120084
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 = 120084 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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