UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(6-methoxybenzofuran-2-yl)-1H-pyrazole-3-carboxylic 5-(6-methoxybenzofuran-2-yl)-1H-…

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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) 2.29 4.94 -45.42 1 6 -1 91 257.225 3 ↓

Analogs

42893772
42893772
42893786
42893786

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Popular Name: 3-(1-benzofuran-2-yl)-1H-pyrazol-5-amine 3-(1-benzofuran-2-yl)-1H-pyrazol…

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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) 2.05 3.85 -12.89 3 4 0 68 199.213 1 ↓
Lo Low (pH 4.5-6) 2.05 3.97 -35.51 4 4 1 69 200.221 1 ↓

Analogs

42893784
42893784

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Popular Name: 2-[5-amino-3-(1-benzofuran-2-yl)-1H-pyrazol-1-yl]ethan-1-ol 2-[5-amino-3-(1-benzofuran-2-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) 1.48 2.67 -10.45 3 5 0 77 243.266 3 ↓
Mid Mid (pH 6-8) 1.48 2.79 -29.46 4 5 1 78 244.274 3 ↓

Analogs

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Popular Name: N-[3-[[3-(benzofuran-2-yl)-1-methyl-pyrazol-4-yl]methylamino]propyl]-N-methyl-methanesulfonamide N-[3-[[3-(benzofuran-2-yl)-1-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) 1.67 6.01 -56.62 2 7 1 85 377.49 8 ↓
Hi High (pH 8-9.5) 1.67 4.62 -17.18 1 7 0 80 376.482 8 ↓

Analogs

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Popular Name: 3-(5-bromobenzofuran-2-yl)-N-ethyl-1H-pyrazol-5-amine 3-(5-bromobenzofuran-2-yl)-N-eth…

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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) 3.58 6.29 -6.73 2 4 0 54 306.163 3 ↓
Lo Low (pH 4.5-6) 3.58 6.4 -30.54 3 4 1 55 307.171 3 ↓

Analogs

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Popular Name: 1-[5-(benzofuran-2-yl)-2-(2-hydroxyethyl)pyrazol-3-yl]-3-isopropyl-urea 1-[5-(benzofuran-2-yl)-2-(2-hydr…

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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) 2.18 3.97 -16.13 3 7 0 92 328.372 5 ↓

Analogs

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Popular Name: 3-(5-bromobenzofuran-2-yl)-1-methyl-pyrazole-4-carbaldehyde 3-(5-bromobenzofuran-2-yl)-1-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) 3.01 6.77 -8.97 0 4 0 48 305.131 2 ↓

Analogs

40926390
40926390

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Popular Name: 3-(benzofuran-2-yl)-1-tert-butyl-pyrazole-4-carboxylic 3-(benzofuran-2-yl)-1-tert-butyl…

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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) 3.19 9.58 -60.81 0 5 -1 71 283.307 3 ↓

Analogs

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Popular Name: 3-(5-bromobenzofuran-2-yl)-1-methyl-pyrazole-4-carboxylic 3-(5-bromobenzofuran-2-yl)-1-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) 2.79 8.21 -54.99 0 5 -1 71 320.122 2 ↓

Analogs

34961721
34961721

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Popular Name: 3-(benzofuran-2-yl)-1-methyl-pyrazole-4-carboxylic 3-(benzofuran-2-yl)-1-methyl-pyr…

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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) 2.01 7.6 -60.27 0 5 -1 71 241.226 2 ↓

Analogs

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Popular Name: 3-(5-bromobenzofuran-2-yl)-1-isobutyl-pyrazole-4-carbaldehyde 3-(5-bromobenzofuran-2-yl)-1-iso…

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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) 4.13 9.2 -8.02 0 4 0 48 347.212 4 ↓

Analogs

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Popular Name: 3-(benzofuran-2-yl)-1-isobutyl-pyrazole-4-carbaldehyde 3-(benzofuran-2-yl)-1-isobutyl-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) 3.35 8.59 -9.43 0 4 0 48 268.316 4 ↓

Analogs

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Popular Name: 3-(benzofuran-2-yl)-1-isobutyl-pyrazole-4-carboxylic 3-(benzofuran-2-yl)-1-isobutyl-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) 3.13 10.01 -59.74 0 5 -1 71 283.307 4 ↓

Parameters Provided:

ring.id = 13467
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 = 13467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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