UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4868365
4868365
4868363
4868363

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N-phenethyl-acetamide 2-(5-chloro-6-methyl-benzofuran-…

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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) 4.31 9.53 -13.29 1 3 0 42 327.811 5 ↓

Analogs

4855414
4855414
6809787
6809787
15739064
15739064

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 4.33 9.01 -18 1 5 0 61 401.89 7 ↓

Analogs

16527268
16527268
16527250
16527250
4839339
4839339

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-phenethyl-acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 4.69 9.81 -13.51 1 3 0 42 341.838 5 ↓

Analogs

6337649
6337649
27587444
27587444
27587439
27587439

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Popular Name: 2-(5-methylbenzofuran-3-yl)-N-phenethyl-acetamide 2-(5-methylbenzofuran-3-yl)-N-ph…

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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) 3.71 9.11 -14.21 1 3 0 42 293.366 5 ↓

Analogs

27587444
27587444
27587439
27587439
16607323
16607323

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Popular Name: 2-(5-ethylbenzofuran-3-yl)-N-phenethyl-acetamide 2-(5-ethylbenzofuran-3-yl)-N-phe…

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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) 4.17 9.87 -13.89 1 3 0 42 307.393 6 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-(6-methoxybenzofuran-3-yl)acetamide N-[(2S)-2-dimethylamino-2-(3-flu…

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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) 3.26 9.17 -63.53 2 5 1 56 371.432 7 ↓
Hi High (pH 8-9.5) 3.26 6.68 -16.72 1 5 0 55 370.424 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-(6-methoxybenzofuran-3-yl)acetamide N-[(2R)-2-dimethylamino-2-(3-flu…

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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) 3.26 8.8 -62.19 2 5 1 56 371.432 7 ↓
Hi High (pH 8-9.5) 3.26 6.45 -17.14 1 5 0 55 370.424 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(5,6-dimethylbenzofuran-3-yl)acetamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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) 3.92 10.06 -47.71 2 5 1 56 381.496 7 ↓
Mid Mid (pH 6-8) 3.92 7.53 -14.89 1 5 0 55 380.488 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(5,6-dimethylbenzofuran-3-yl)acetamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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) 3.92 10.08 -48.18 2 5 1 56 381.496 7 ↓
Mid Mid (pH 6-8) 3.92 8.02 -13.12 1 5 0 55 380.488 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]-2-(6-methylbenzofuran-3-yl)acetamide N-[(2R)-2-(dimethylamino)-2-phen…

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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) 3.51 10.21 -46.8 2 4 1 47 337.443 6 ↓
Mid Mid (pH 6-8) 3.51 7.69 -12.33 1 4 0 45 336.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-(6-methylbenzofuran-3-yl)acetamide N-[(2S)-2-(dimethylamino)-2-phen…

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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) 3.51 10.23 -47.32 2 4 1 47 337.443 6 ↓
Mid Mid (pH 6-8) 3.51 8.17 -12.89 1 4 0 45 336.435 6 ↓

Parameters Provided:

ring.id = 3068
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 = 3068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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