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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1-dimethyl-4-(methylsulfamoyl)-N-(3-pyridylmethyl)pyrrole-2-carboxamide N,1-dimethyl-4-(methylsulfamoyl)…

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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) -0.24 2.18 -15.87 1 7 0 84 322.39 5 ↓
Lo Low (pH 4.5-6) -0.24 2.65 -45.86 2 7 1 86 323.398 5 ↓

Analogs

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Popular Name: 4-acetyl-N-(3-pyridylmethyl)-1H-pyrrole-2-carboxamide 4-acetyl-N-(3-pyridylmethyl)-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) 0.27 3.16 -19.99 2 5 0 75 243.266 4 ↓
Lo Low (pH 4.5-6) 0.27 3.43 -54.73 3 5 1 76 244.274 4 ↓

Analogs

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Popular Name: 4-amino-1-isopropyl-N-[(1S)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[(1S)-1-(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) 1.22 4.41 -8.35 3 5 0 73 272.352 4 ↓
Lo Low (pH 4.5-6) 1.22 4.91 -39.58 4 5 1 74 273.36 4 ↓

Analogs

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Popular Name: 4-amino-1-isopropyl-N-[(1R)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[(1R)-1-(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) 1.22 4.42 -8.44 3 5 0 73 272.352 4 ↓
Lo Low (pH 4.5-6) 1.22 4.89 -39.65 4 5 1 74 273.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-1-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1S)-1-(3-pyridyl)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) 0.42 1.33 -10.6 4 5 0 84 230.271 3 ↓
Mid Mid (pH 6-8) -0.02 -0.52 -52.29 4 5 1 82 231.279 3 ↓
Lo Low (pH 4.5-6) -0.02 -0.04 -92.55 5 5 2 83 232.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1R)-1-(3-pyridyl)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) 0.42 1.33 -10.6 4 5 0 84 230.271 3 ↓
Mid Mid (pH 6-8) -0.02 -0.52 -52.26 4 5 1 82 231.279 3 ↓
Lo Low (pH 4.5-6) -0.02 -0.03 -92.59 5 5 2 83 232.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(1S)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(1S)-1-(3-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) 0.86 3.85 -8.48 3 5 0 73 258.325 4 ↓
Lo Low (pH 4.5-6) 0.86 4.33 -39.53 4 5 1 74 259.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(1R)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(1R)-1-(3-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) 0.86 3.84 -8.31 3 5 0 73 258.325 4 ↓
Lo Low (pH 4.5-6) 0.86 4.31 -39.64 4 5 1 74 259.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[(1S)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[(1S)-1-(3-py…

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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) 0.49 2.96 -8.75 3 5 0 73 244.298 3 ↓
Lo Low (pH 4.5-6) 0.49 3.45 -40.24 4 5 1 74 245.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[(1R)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[(1R)-1-(3-py…

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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) 0.49 2.98 -8.78 3 5 0 73 244.298 3 ↓
Lo Low (pH 4.5-6) 0.49 3.47 -40.08 4 5 1 74 245.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-propyl-N-[(1S)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 4-amino-1-propyl-N-[(1S)-1-(3-py…

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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) 1.36 4.62 -8.31 3 5 0 73 272.352 5 ↓
Lo Low (pH 4.5-6) 1.36 5.1 -39.15 4 5 1 74 273.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-propyl-N-[(1R)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 4-amino-1-propyl-N-[(1R)-1-(3-py…

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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) 1.36 4.61 -8.19 3 5 0 73 272.352 5 ↓
Lo Low (pH 4.5-6) 1.36 5.09 -39.49 4 5 1 74 273.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-methyl-N-(3-pyridylmethyl)pyrrole-2-carboxamide 4-amino-1-isopropyl-N-methyl-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) 0.91 5.38 -9.81 2 5 0 64 272.352 4 ↓
Lo Low (pH 4.5-6) 0.91 5.85 -39.72 3 5 1 65 273.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-N-(3-pyridylmethyl)-1H-pyrrole-2-carboxamide 4-amino-N-methyl-N-(3-pyridylmet…

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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) 0.10 2.86 -15.2 3 5 0 75 230.271 3 ↓
Mid Mid (pH 6-8) -0.34 1.59 -53.6 3 5 1 73 231.279 3 ↓
Lo Low (pH 4.5-6) -0.34 2.06 -89.17 4 5 2 74 232.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-methyl-N-(3-pyridylmethyl)pyrrole-2-carboxamide 4-amino-1-ethyl-N-methyl-N-(3-py…

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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 4.79 -9.47 2 5 0 64 258.325 4 ↓
Lo Low (pH 4.5-6) 0.55 5.26 -38.93 3 5 1 65 259.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N,1-dimethyl-N-(3-pyridylmethyl)pyrrole-2-carboxamide 4-amino-N,1-dimethyl-N-(3-pyridy…

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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) 0.17 3.93 -10.24 2 5 0 64 244.298 3 ↓
Lo Low (pH 4.5-6) 0.17 4.4 -40.32 3 5 1 65 245.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-1-propyl-N-(3-pyridylmethyl)pyrrole-2-carboxamide 4-amino-N-methyl-1-propyl-N-(3-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) 1.05 5.55 -9.3 2 5 0 64 272.352 5 ↓
Lo Low (pH 4.5-6) 1.05 6.02 -38.88 3 5 1 65 273.36 5 ↓

Analogs

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide N-[(6-methoxy-3-pyridyl)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) -0.09 -1.15 -15.22 2 8 0 102 338.389 6 ↓

Analogs

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Popular Name: 4-(diethylsulfamoyl)-N-[(6-methoxy-3-pyridyl)methyl]-1-methyl-pyrrole-2-carboxamide 4-(diethylsulfamoyl)-N-[(6-metho…

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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) 0.91 2.4 -14.5 1 8 0 94 380.47 8 ↓
Lo Low (pH 4.5-6) 0.91 3.12 -42.96 2 8 1 95 381.478 8 ↓

Analogs

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Popular Name: 4-chloro-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-1H-pyrrole-2-carboxamide 4-chloro-N-(2-cyanoethyl)-N-(3-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) 0.76 7.21 -14.36 1 5 0 73 288.738 5 ↓
Lo Low (pH 4.5-6) 0.76 7.67 -48.65 2 5 1 74 289.746 5 ↓

Analogs

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Popular Name: 4-acetyl-N-(2-cyanoethyl)-3-ethyl-5-methyl-N-(3-pyridylmethyl)-1H-pyrrole-2-carboxamide 4-acetyl-N-(2-cyanoethyl)-3-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) 1.04 8.33 -18.31 1 6 0 90 338.411 7 ↓
Lo Low (pH 4.5-6) 1.04 8.79 -52.99 2 6 1 91 339.419 7 ↓

Analogs

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Popular Name: 4,5-dichloro-N-[(2-ethoxy-3-pyridyl)methyl]-1-methyl-pyrrole-2-carboxamide 4,5-dichloro-N-[(2-ethoxy-3-pyri…

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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) 2.64 4.59 -7.77 1 5 0 56 328.199 5 ↓

Analogs

41976747
41976747

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Popular Name: 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 1-methyl-4-(methylsulfamoyl)-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) 0.07 1.2 -15.06 2 7 0 93 322.39 5 ↓
Lo Low (pH 4.5-6) 0.07 1.69 -45.89 3 7 1 94 323.398 5 ↓

Analogs

41976745
41976745

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Popular Name: 1-methyl-4-(methylsulfamoyl)-N-[(1R)-1-(3-pyridyl)ethyl]pyrrole-2-carboxamide 1-methyl-4-(methylsulfamoyl)-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) 0.07 1.22 -14.88 2 7 0 93 322.39 5 ↓
Lo Low (pH 4.5-6) 0.07 1.71 -46.44 3 7 1 94 323.398 5 ↓

Parameters Provided:

ring.id = 64361
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 = 64361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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