UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2-carboxylic 5-[3-(3,5-dimethylpyrazol-1-yl)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) 1.88 6.56 -58.33 1 6 -1 87 306.367 5 ↓

Analogs

2782256
2782256
2782494
2782494
2782511
2782511
2780460
2780460
2778880
2778880

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Popular Name: 5-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-car 5-[3-(4-bromo-3,5-dimethyl-pyraz…

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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) 2.91 8.52 -15.39 1 7 0 91 466.405 7 ↓

Analogs

2782543
2782543
2782093
2782093

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Popular Name: 4-cyano-N,N-diethyl-3-methyl-5-[3-(4-nitropyrazol-1-yl)propanoylamino]thiophene-2-carboxamide 4-cyano-N,N-diethyl-3-methyl-5-[…

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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) 1.62 7.61 -18.55 1 10 0 137 404.452 8 ↓

Analogs

2784468
2784468

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Popular Name: 4,5-dimethyl-2-[[(2S)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylic-acid-et 4,5-dimethyl-2-[[(2S)-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) 2.34 2.01 -13.65 1 9 0 119 380.426 8 ↓

Analogs

2784467
2784467

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Popular Name: 4,5-dimethyl-2-[[(2R)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylic-acid-et 4,5-dimethyl-2-[[(2R)-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) 2.34 1.97 -13.71 1 9 0 119 380.426 8 ↓

Analogs

6828498
6828498
2780609
2780609

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Popular Name: 2-[[(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5-dimethyl-thiophene-3-carboxamide 2-[[(2S)-3-(4-bromopyrazol-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) 1.80 -3.26 -12.14 3 6 0 90 385.287 5 ↓

Analogs

6828498
6828498
2780609
2780609

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5-dimethyl-thiophene-3-carboxamide 2-[[(2R)-3-(4-bromopyrazol-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) 1.80 -3.3 -11.42 3 6 0 90 385.287 5 ↓

Analogs

2782520
2782520
2782521
2782521

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Popular Name: 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-cyano-3-methyl-thiophene-2- 5-[3-[4-bromo-5-methyl-3-(triflu…

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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) 3.84 8.78 -15.05 1 7 0 97 493.305 8 ↓

Parameters Provided:

ring.id = 128551
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 = 128551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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