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

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-1-ethyl-pyrrole-2-carboxamide 4-amino-N-[(3R)-1,1-dioxothian-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) -0.07 0.52 -16.84 3 6 0 94 285.369 3 ↓

Analogs

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Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-1-ethyl-pyrrole-2-carboxamide 4-amino-N-[(3S)-1,1-dioxothian-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) -0.07 0.52 -17.14 3 6 0 94 285.369 3 ↓

Analogs

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-1H-pyrrole-2-carboxamide 4-amino-N-[(3R)-1,1-dioxothian-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) -0.51 -1.99 -20.08 4 6 0 105 257.315 2 ↓

Analogs

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Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-1H-pyrrole-2-carboxamide 4-amino-N-[(3S)-1,1-dioxothian-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) -0.51 -1.99 -20.05 4 6 0 105 257.315 2 ↓

Analogs

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(3R)-1,1-dioxothian-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) 0.43 1.28 -16.73 3 6 0 94 299.396 4 ↓

Analogs

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Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(3S)-1,1-dioxothian-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) 0.43 1.27 -17.08 3 6 0 94 299.396 4 ↓

Analogs

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-[(3R)-1,1-dioxothian-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) -0.45 -0.36 -17.33 3 6 0 94 271.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-[(3S)-1,1-dioxothian-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) -0.45 -0.36 -17.58 3 6 0 94 271.342 2 ↓

Analogs

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Popular Name: 4-amino-N-[(3R)-1,1-dioxothian-3-yl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[(3R)-1,1-dioxothian-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) 0.29 1.09 -16.89 3 6 0 94 299.396 3 ↓

Analogs

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Popular Name: 4-amino-N-[(3S)-1,1-dioxothian-3-yl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[(3S)-1,1-dioxothian-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) 0.29 1.09 -17.15 3 6 0 94 299.396 3 ↓

Analogs

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Popular Name: 4-bromo-N-[(3R)-1,1-dioxothian-3-yl]-1-methyl-pyrrole-2-carboxamide 4-bromo-N-[(3R)-1,1-dioxothian-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) 0.88 2.4 -16.52 1 5 0 68 335.223 2 ↓

Analogs

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Popular Name: 4-bromo-N-[(3S)-1,1-dioxothian-3-yl]-1-methyl-pyrrole-2-carboxamide 4-bromo-N-[(3S)-1,1-dioxothian-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) 0.88 2.41 -16.72 1 5 0 68 335.223 2 ↓

Analogs

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Popular Name: 4-bromo-N-[(3R)-1,1-dioxothian-3-yl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(3R)-1,1-dioxothian-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) 0.81 0.77 -20.42 2 5 0 79 321.196 2 ↓

Analogs

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Popular Name: 4-bromo-N-[(3S)-1,1-dioxothian-3-yl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(3S)-1,1-dioxothian-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) 0.81 0.77 -20.35 2 5 0 79 321.196 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(3R)-1,1-dioxothian-3-yl]-1-isopropyl-pyrrole-2-carboxamide 4-bromo-N-[(3R)-1,1-dioxothian-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) 1.62 3.84 -15.96 1 5 0 68 363.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(3S)-1,1-dioxothian-3-yl]-1-isopropyl-pyrrole-2-carboxamide 4-bromo-N-[(3S)-1,1-dioxothian-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) 1.62 3.85 -16.18 1 5 0 68 363.277 3 ↓

Analogs

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Popular Name: 4-bromo-N-[(3R)-1,1-dioxothian-3-yl]-1-ethyl-pyrrole-2-carboxamide 4-bromo-N-[(3R)-1,1-dioxothian-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) 1.26 3.29 -16.06 1 5 0 68 349.25 3 ↓

Analogs

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Popular Name: 4-bromo-N-[(3S)-1,1-dioxothian-3-yl]-1-ethyl-pyrrole-2-carboxamide 4-bromo-N-[(3S)-1,1-dioxothian-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) 1.26 3.29 -16.28 1 5 0 68 349.25 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(3R)-1,1-dioxothian-3-yl]-1-propyl-pyrrole-2-carboxamide 4-bromo-N-[(3R)-1,1-dioxothian-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) 1.76 4.05 -15.9 1 5 0 68 363.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(3S)-1,1-dioxothian-3-yl]-1-propyl-pyrrole-2-carboxamide 4-bromo-N-[(3S)-1,1-dioxothian-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) 1.76 4.05 -16.15 1 5 0 68 363.277 4 ↓

Parameters Provided:

ring.id = 288597
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 = 288597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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