UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carboxylic 1-methyl-2-(2-methylpyrazol-3-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) 1.83 6.82 -55.43 0 6 -1 76 255.257 2 ↓
Lo Low (pH 4.5-6) 1.83 7.13 -50.63 1 6 0 77 256.265 2 ↓

Analogs

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Popular Name: 1-methyl-2-(1H-pyrazol-5-yl)benzimidazole-5-carboxylic 1-methyl-2-(1H-pyrazol-5-yl)benz…

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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) 1.76 5.57 -54.15 1 6 -1 87 241.23 2 ↓
Lo Low (pH 4.5-6) 1.76 5.99 -50.26 2 6 0 88 242.238 2 ↓

Analogs

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Popular Name: 5,6-dimethyl-2-(2-methylpyrazol-3-yl)-1H-benzimidazole 5,6-dimethyl-2-(2-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) 2.67 5.97 -9.77 1 4 0 47 226.283 1 ↓
Lo Low (pH 4.5-6) 2.67 6.31 -28.21 2 4 1 48 227.291 1 ↓

Analogs

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Popular Name: BRD-K58419448-001-01-6 BRD-K58419448-001-01-6

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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) 2.61 -1.13 -10.04 1 4 0 46 277.125 1 ↓

Analogs

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Popular Name: 2-[2-(1H-pyrazol-5-yl)benzimidazol-1-yl]acetic 2-[2-(1H-pyrazol-5-yl)benzimidaz…

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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) 1.12 6.13 -48.23 1 6 -1 87 241.23 3 ↓
Lo Low (pH 4.5-6) 1.12 6.54 -37.85 2 6 0 88 242.238 3 ↓

Analogs

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Popular Name: 3-[2-(1H-pyrazol-5-yl)benzimidazol-1-yl]propanoic 3-[2-(1H-pyrazol-5-yl)benzimidaz…

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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) 1.39 6.62 -45.27 1 6 -1 87 255.257 4 ↓
Lo Low (pH 4.5-6) 1.39 7.04 -44.76 2 6 0 88 256.265 4 ↓

Analogs

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Popular Name: 2-[5,6-dimethyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]acetic 2-[5,6-dimethyl-2-(1H-pyrazol-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) 1.92 7.37 -49.15 1 6 -1 87 269.284 3 ↓
Mid Mid (pH 6-8) 1.92 7.77 -36.81 2 6 0 88 270.292 3 ↓

Analogs

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Popular Name: 3-[5,6-dimethyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]propanoic 3-[5,6-dimethyl-2-(1H-pyrazol-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) 2.19 7.86 -45.56 1 6 -1 87 283.311 4 ↓
Lo Low (pH 4.5-6) 2.19 8.27 -43.56 2 6 0 88 284.319 4 ↓

Analogs

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Popular Name: 2-[5,6-difluoro-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]acetic 2-[5,6-difluoro-2-(1H-pyrazol-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) 1.35 6.27 -41.39 1 6 -1 87 277.21 3 ↓
Lo Low (pH 4.5-6) 1.35 6.69 -37.93 2 6 0 88 278.218 3 ↓

Analogs

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Popular Name: 3-[5,6-difluoro-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]propanoic 3-[5,6-difluoro-2-(1H-pyrazol-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 6.75 -40.35 1 6 -1 87 291.237 4 ↓
Lo Low (pH 4.5-6) 1.62 7.17 -47.11 2 6 0 88 292.245 4 ↓

Parameters Provided:

ring.id = 159092
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 = 159092 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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