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

33709562
33709562
33768994
33768994
33772639
33772639
34678146
34678146
34678371
34678371

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Popular Name: N,N-diallyl-2-[(4-benzylpiperazin-1-yl)methyl]oxazole-4-carboxamide N,N-diallyl-2-[(4-benzylpiperazi…

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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) 2.53 9.06 -46.77 1 6 1 54 381.5 9 ↓
Mid Mid (pH 6-8) 2.53 8.92 -44.66 1 6 1 54 381.5 9 ↓
Mid Mid (pH 6-8) 2.53 6.66 -7.46 0 6 0 53 380.492 9 ↓

Analogs

34677014
34677014
34677015
34677015
34677018
34677018
34677019
34677019
34677022
34677022

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Popular Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-2-[(4-benzylpiperazin-1-yl)methyl]oxazole-4-carboxamide N-(2-allyl-2-hydroxy-pent-4-enyl…

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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) 2.25 4.46 -44.26 3 7 1 83 425.553 11 ↓
Mid Mid (pH 6-8) 2.25 4.54 -44.37 3 7 1 83 425.553 11 ↓
Mid Mid (pH 6-8) 2.25 2.16 -7.98 2 7 0 82 424.545 11 ↓

Analogs

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Popular Name: 4,5-dimethyl-2-[[4-[(2-methyl-3-nitro-phenyl)methyl]piperazin-1-yl]methyl]oxazole 4,5-dimethyl-2-[[4-[(2-methyl-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) 2.31 7.31 -45.88 1 7 1 80 345.423 5 ↓
Mid Mid (pH 6-8) 2.31 5.05 -11.76 0 7 0 78 344.415 5 ↓
Mid Mid (pH 6-8) 2.31 6.83 -52.54 1 7 1 80 345.423 5 ↓

Analogs

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Popular Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-(2-hydroxyethyl)oxazole-4-carboxamide 2-[(4-benzylpiperazin-1-yl)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) 0.36 0.21 -44.73 3 7 1 83 345.423 7 ↓
Mid Mid (pH 6-8) 0.36 -2.04 -9.82 2 7 0 82 344.415 7 ↓
Mid Mid (pH 6-8) 0.36 0.26 -45.95 3 7 1 83 345.423 7 ↓

Analogs

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Popular Name: N-allyl-2-[(4-benzylpiperazin-1-yl)methyl]oxazole-4-carboxamide N-allyl-2-[(4-benzylpiperazin-1-…

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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) 1.64 4.07 -42.38 2 6 1 63 341.435 7 ↓
Mid Mid (pH 6-8) 1.64 1.82 -7.49 1 6 0 62 340.427 7 ↓
Mid Mid (pH 6-8) 1.64 4.12 -44.08 2 6 1 63 341.435 7 ↓

Analogs

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Popular Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-isobutyl-N-methyl-oxazole-4-carboxamide 2-[(4-benzylpiperazin-1-yl)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) 2.36 7.83 -42.49 1 6 1 54 371.505 7 ↓
Mid Mid (pH 6-8) 2.36 5.6 -7.52 0 6 0 53 370.497 7 ↓
Mid Mid (pH 6-8) 2.36 7.89 -44.35 1 6 1 54 371.505 7 ↓

Analogs

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Popular Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-[(2S)-2-hydroxypropyl]-N-methyl-oxazole-4-carboxamide 2-[(4-benzylpiperazin-1-yl)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) 0.97 4.86 -43.82 2 7 1 74 373.477 7 ↓
Mid Mid (pH 6-8) 0.97 4.91 -45.35 2 7 1 74 373.477 7 ↓
Mid Mid (pH 6-8) 0.97 2.62 -8.82 1 7 0 73 372.469 7 ↓

Analogs

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Popular Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-oxazole-4-carboxamide 2-[(4-benzylpiperazin-1-yl)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) 0.97 4.1 -45.11 2 7 1 74 373.477 7 ↓
Mid Mid (pH 6-8) 0.97 1.86 -9.94 1 7 0 73 372.469 7 ↓
Mid Mid (pH 6-8) 0.97 4.15 -46.65 2 7 1 74 373.477 7 ↓

Analogs

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Popular Name: 2-[(4-benzylpiperazin-1-yl)methyl]-N-methyl-N-[2-(methylamino)-2-oxo-ethyl]oxazole-4-carboxamide 2-[(4-benzylpiperazin-1-yl)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) 0.84 4.39 -50.55 2 8 1 83 386.476 7 ↓
Mid Mid (pH 6-8) 0.84 2.15 -15.12 1 8 0 82 385.468 7 ↓
Mid Mid (pH 6-8) 0.84 4.44 -51.62 2 8 1 83 386.476 7 ↓

Parameters Provided:

ring.id = 138492
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 = 138492 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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