UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-isopentyl-N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide N-isopentyl-N-methyl-5-[(2-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) 3.13 9.36 -17.28 1 6 0 67 339.443 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.20 7.08 -16.87 2 8 0 102 369.425 7 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-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) 0.88 2.66 -18.44 3 7 0 96 299.334 5 ↓
Lo Low (pH 4.5-6) 0.88 3.14 -43.2 4 7 1 97 300.342 5 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-N-[2…

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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) 0.55 3.27 -27.59 2 9 0 113 376.442 7 ↓
Lo Low (pH 4.5-6) 0.55 3.74 -52.5 3 9 1 114 377.45 7 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-N-[2…

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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 1.41 -26.57 3 9 0 122 362.415 7 ↓
Lo Low (pH 4.5-6) 0.30 1.89 -53.12 4 9 1 123 363.423 7 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-[(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-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) 0.96 4.57 -19.27 3 8 0 105 340.387 6 ↓
Lo Low (pH 4.5-6) 0.96 5.05 -45.79 4 8 1 106 341.395 6 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-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) 0.96 4.57 -19.71 3 8 0 105 340.387 6 ↓
Lo Low (pH 4.5-6) 0.96 5.05 -45.57 4 8 1 106 341.395 6 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-[(1R)-1,4-dimethylpentyl]-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-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) 3.40 9.06 -16.15 2 6 0 76 339.443 7 ↓
Lo Low (pH 4.5-6) 3.40 9.53 -41.87 3 6 1 77 340.451 7 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-[(1S)-1,4-dimethylpentyl]-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-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) 3.40 9.06 -16.21 2 6 0 76 339.443 7 ↓
Lo Low (pH 4.5-6) 3.40 9.53 -41.8 3 6 1 77 340.451 7 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-N-(2…

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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) 0.55 2.76 -29.2 2 8 0 110 347.4 6 ↓
Lo Low (pH 4.5-6) 0.55 3.24 -55.13 3 8 1 111 348.408 6 ↓

Analogs

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Popular Name: N-ethyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-propyl-1H-pyrazole-3-carboxamide N-ethyl-5-[(2-methylbenzimidazol…

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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) 2.73 9.21 -16.65 1 6 0 67 325.416 6 ↓
Lo Low (pH 4.5-6) 2.73 9.64 -36.89 2 6 1 68 326.424 6 ↓

Analogs

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Popular Name: 5-(benzimidazol-1-ylmethyl)-N-[(3R)-4-hydroxy-3-methyl-butyl]-1H-pyrazole-3-carboxamide 5-(benzimidazol-1-ylmethyl)-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) 1.53 3.97 -18.73 3 7 0 96 327.388 7 ↓
Lo Low (pH 4.5-6) 1.53 4.44 -44.86 4 7 1 97 328.396 7 ↓

Analogs

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Popular Name: N-ethyl-N-(2-hydroxyethyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide N-ethyl-N-(2-hydroxyethyl)-5-[(2…

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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) 1.22 6.01 -19.89 2 7 0 87 327.388 6 ↓
Lo Low (pH 4.5-6) 1.22 6.45 -39.32 3 7 1 88 328.396 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-N-propyl-1H-pyrazole-3-carboxamide N-(2-methoxyethyl)-5-[(2-methylb…

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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 9.07 -18.66 1 7 0 76 355.442 8 ↓
Lo Low (pH 4.5-6) 2.34 9.51 -38.15 2 7 1 77 356.45 8 ↓

Parameters Provided:

ring.id = 52223
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 = 52223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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