UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[5-(diethylsulfamoyl)-2-thienyl]methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide N-[[5-(diethylsulfamoyl)-2-thien…

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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) 1.86 5.28 -16.46 1 7 0 84 398.554 9 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(2-thenyl)propionamide (2R)-2-methyl-3-(5-methyl-3-nitr…

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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) 1.84 -0.49 -13.13 1 7 0 92 308.363 6 ↓

Analogs

2788422
2788422
2788423
2788423

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Popular Name: (2S)-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(2-thenyl)propionamide (2S)-2-methyl-3-(5-methyl-3-nitr…

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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) 1.84 -0.49 -12.56 1 7 0 92 308.363 6 ↓

Analogs

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Popular Name: (2S)-N-butyl-2-methyl-N-[(3-methyl-2-thienyl)methyl]-3-pyrazol-1-yl-propanamide (2S)-N-butyl-2-methyl-N-[(3-meth…

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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) 3.60 10.16 -6.58 0 4 0 38 319.474 8 ↓

Analogs

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Popular Name: (2R)-N-butyl-2-methyl-N-[(3-methyl-2-thienyl)methyl]-3-pyrazol-1-yl-propanamide (2R)-N-butyl-2-methyl-N-[(3-meth…

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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) 3.60 10.12 -7.15 0 4 0 38 319.474 8 ↓

Analogs

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Popular Name: 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(2-thienylmethyl)propanamide 3-(3,5-dimethylpyrazol-1-yl)-N-m…

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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) 1.75 7.58 -11.12 0 4 0 38 277.393 5 ↓

Analogs

2780553
2780553

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Popular Name: 3-(4-methylpyrazol-1-yl)-N-[(5-methyl-2-thienyl)methyl]propanamide 3-(4-methylpyrazol-1-yl)-N-[(5-m…

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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 5.91 -7.96 1 4 0 47 263.366 5 ↓

Analogs

2780553
2780553

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-3-pyrazol-1-yl-propanamide N-[(4-bromo-2-thienyl)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) 1.80 5.01 -7.95 1 4 0 47 314.208 5 ↓

Analogs

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Popular Name: 3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]propanamide 3-(4-methylpyrazol-1-yl)-N-[(1R)…

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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) 2.22 6.72 -7.5 1 4 0 47 277.393 5 ↓

Analogs

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Popular Name: 3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]propanamide 3-(4-methylpyrazol-1-yl)-N-[(1S)…

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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) 2.22 6.72 -7.68 1 4 0 47 277.393 5 ↓

Parameters Provided:

ring.id = 127683
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 = 127683 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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