UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: isopropyl isopropyl

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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) 2.66 10.67 -20.56 2 7 0 92 399.491 7 ↓

Analogs

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Popular Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide N-[2-(2-ethylanilino)-2-oxo-ethy…

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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) 1.63 4.26 -21.6 2 8 0 101 392.481 7 ↓

Analogs

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Popular Name: 4-bromo-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-methyl-N-[2-(4-methyla…

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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) 2.89 6.7 -18.78 2 5 0 65 350.216 4 ↓

Analogs

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Popular Name: 4-bromo-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-1H-pyrrole-2-carboxamide 4-bromo-N-[2-(2-ethylanilino)-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) 3.31 7.71 -17.61 2 5 0 65 364.243 5 ↓

Analogs

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Popular Name: 4-bromo-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-methyl-1H-pyrrole-2-carboxamide 4-bromo-N-[2-(2,6-dimethylanilin…

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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) 2.30 7.59 -17.94 2 5 0 65 364.243 4 ↓

Analogs

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Popular Name: 4-bromo-N-[2-(3,4-difluoroanilino)-2-oxo-ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[2-(3,4-difluoroanilin…

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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) 2.45 3.53 -12.5 3 5 0 74 358.142 4 ↓

Analogs

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Popular Name: 4-bromo-N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-methyl-1H-pyrrole-2-carboxamide 4-bromo-N-[2-(2,3-dimethylanilin…

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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) 3.24 7.45 -18.92 2 5 0 65 364.243 4 ↓

Analogs

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Popular Name: 4-bromo-N-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-methyl-1H-pyrrole-2-carboxamide 4-bromo-N-[2-(3-methoxyanilino)-…

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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) 2.47 5.35 -22.68 2 6 0 74 366.215 5 ↓

Analogs

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Popular Name: 4-bromo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[2-oxo-2-(2,4,6-trimet…

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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) 2.46 5.67 -10.98 3 5 0 74 364.243 4 ↓

Analogs

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Popular Name: 4-bromo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-methyl-N-[2-oxo-2-(2,4…

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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) 2.70 8.31 -17.88 2 5 0 65 378.27 4 ↓

Analogs

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Popular Name: 4-bromo-N-[2-(4-ethoxyanilino)-2-oxo-ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[2-(4-ethoxyanilino)-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) 2.63 3.64 -12.32 3 6 0 83 366.215 6 ↓

Analogs

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Popular Name: 4-(diethylsulfamoyl)-N-[2-[(3,4-difluorophenyl)amino]-2-oxo-ethyl]-1-methyl-pyrrole-2-carboxamide 4-(diethylsulfamoyl)-N-[2-[(3,4-…

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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) 1.77 4.22 -19.79 2 8 0 101 428.461 8 ↓

Analogs

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Popular Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N,1-dimethyl-pyrrole-2-carboxamide N-[2-(2,3-dimethylanilino)-2-oxo…

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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) 2.57 7.89 -16.72 1 5 0 54 299.374 4 ↓

Analogs

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Popular Name: 1-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrrole-2-carboxamide 1-methyl-N-[2-oxo-2-(2,3,4-trifl…

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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) 1.87 4.67 -10.3 2 5 0 63 311.263 4 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1-methyl-pyrrole-2-carboxamide N-[2-(2,6-dimethylanilino)-2-oxo…

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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 5.96 -10.52 2 5 0 63 285.347 4 ↓

Analogs

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Popular Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-N,1-dimethyl-pyrrole-2-carboxamide N-[2-(2-ethylanilino)-2-oxo-ethy…

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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) 2.63 8.15 -15.58 1 5 0 54 299.374 5 ↓

Analogs

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Popular Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-methyl-pyrrole-2-carboxamide N-[2-(4-bromo-2-methyl-anilino)-…

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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) 2.71 5.94 -10.38 2 5 0 63 350.216 4 ↓

Analogs

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Popular Name: 1-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrole-2-carboxamide 1-methyl-N-[2-oxo-2-(2,4,6-trime…

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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) 1.79 6.69 -10.5 2 5 0 63 299.374 4 ↓

Analogs

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Popular Name: N,1-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrole-2-carboxamide N,1-dimethyl-N-[2-oxo-2-(2,4,6-t…

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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) 2.03 8.75 -15.75 1 5 0 54 313.401 4 ↓

Analogs

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Popular Name: 4-acetyl-N-[2-(4-bromoanilino)-2-oxo-ethyl]-1-methyl-pyrrole-2-carboxamide 4-acetyl-N-[2-(4-bromoanilino)-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) 2.16 5.55 -13.24 2 6 0 80 378.226 5 ↓

Analogs

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Popular Name: N-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-isopropyl-1-methyl-pyrrole-2-carboxamide N-[2-(4-fluoroanilino)-2-oxo-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) 2.60 7.45 -16.48 1 5 0 54 317.364 5 ↓

Analogs

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Popular Name: N-(2-anilino-2-oxo-ethyl)-4-chloro-1H-pyrrole-2-carboxamide N-(2-anilino-2-oxo-ethyl)-4-chlo…

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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) 2.06 3.31 -11.46 3 5 0 74 277.711 4 ↓

Analogs

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Popular Name: N-(2-anilino-2-oxo-ethyl)-4-chloro-1-methyl-pyrrole-2-carboxamide N-(2-anilino-2-oxo-ethyl)-4-chlo…

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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) 2.13 4.96 -10.35 2 5 0 63 291.738 4 ↓

Analogs

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Popular Name: N-(2-anilino-2-oxo-ethyl)-1,5-dimethyl-pyrrole-2-carboxamide N-(2-anilino-2-oxo-ethyl)-1,5-di…

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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 4.92 -10.88 2 5 0 63 271.32 4 ↓

Analogs

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Popular Name: 4-chloro-N-[2-(4-chloroanilino)-2-oxo-ethyl]-1H-pyrrole-2-carboxamide 4-chloro-N-[2-(4-chloroanilino)-…

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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) 2.74 3.83 -11.53 3 5 0 74 312.156 4 ↓

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) 3.06 7.76 -18.01 2 8 0 101 401.463 9 ↓

Parameters Provided:

ring.id = 40929
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 = 40929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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