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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12230457
12230457

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Popular Name: 4-acetyl-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[(R)-(2-methoxyphenyl…

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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) 1.46 -0.4 -24.01 2 7 0 89 352.394 6 ↓
Mid Mid (pH 6-8) 1.46 6.82 -45.75 3 7 1 90 353.402 6 ↓

Analogs

12230454
12230454

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Popular Name: 4-acetyl-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[(S)-(2-methoxyphenyl…

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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) 1.46 -0.37 -23.69 2 7 0 89 352.394 6 ↓
Mid Mid (pH 6-8) 1.46 6.83 -44.83 3 7 1 90 353.402 6 ↓

Analogs

12230467
12230467

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Popular Name: 4-acetyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[(S)-(3-fluorophenyl)…

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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) 1.59 0.11 -22.76 2 6 0 80 340.358 5 ↓
Mid Mid (pH 6-8) 1.59 7.43 -49.9 3 6 1 81 341.366 5 ↓

Analogs

12230462
12230462

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Popular Name: 4-acetyl-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[(R)-(3-fluorophenyl)…

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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) 1.59 0.1 -21.97 2 6 0 80 340.358 5 ↓
Mid Mid (pH 6-8) 1.59 7.42 -46.15 3 6 1 81 341.366 5 ↓

Analogs

41205452
41205452

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Popular Name: N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide N-[(R)-(4-chlorophenyl)-(1-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) 2.30 6.97 -13.18 2 5 0 63 314.776 4 ↓
Lo Low (pH 4.5-6) 2.30 8.27 -37.47 3 5 1 64 315.784 4 ↓

Analogs

41205450
41205450

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Popular Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide N-[(S)-(4-chlorophenyl)-(1-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) 2.30 6.97 -13.02 2 5 0 63 314.776 4 ↓
Lo Low (pH 4.5-6) 2.30 7.54 -37.24 3 5 1 64 315.784 4 ↓

Analogs

41570619
41570619
25491884
25491884
25491888
25491888

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Popular Name: N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide N-[(R)-(2-fluorophenyl)-(1-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) 1.74 6.39 -14.93 2 5 0 63 298.321 4 ↓
Lo Low (pH 4.5-6) 1.74 7.88 -35.06 3 5 1 64 299.329 4 ↓

Analogs

25491884
25491884
25491888
25491888
41570617
41570617

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Popular Name: N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide N-[(S)-(2-fluorophenyl)-(1-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) 1.74 6.44 -14.98 2 5 0 63 298.321 4 ↓
Lo Low (pH 4.5-6) 1.74 6.9 -34.62 3 5 1 64 299.329 4 ↓

Parameters Provided:

ring.id = 96596
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 = 96596 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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