UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-chloro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzofuran-2-carboxamide 5-chloro-3-methyl-N-[2-(4-phenyl…

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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) 4.35 10.41 -47.53 2 5 1 50 398.914 5 ↓
Mid Mid (pH 6-8) 4.35 8.2 -7.83 1 5 0 49 397.906 5 ↓

Analogs

34580284
34580284
3359788
3359788
3334646
3334646

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Popular Name: N-[2-(4-phenylpiperazin-1-yl)ethyl]benzofuran-2-carboxamide N-[2-(4-phenylpiperazin-1-yl)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) 3.31 9.22 -47.44 2 5 1 50 350.442 5 ↓
Mid Mid (pH 6-8) 3.31 7 -9.23 1 5 0 49 349.434 5 ↓

Analogs

38588385
38588385
8960620
8960620

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Popular Name: 7-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzofuran-2-carboxamide 7-methoxy-N-[2-(4-phenylpiperazi…

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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) 3.32 8.49 -47.88 2 6 1 59 380.468 6 ↓
Mid Mid (pH 6-8) 3.32 6.28 -10.77 1 6 0 58 379.46 6 ↓

Analogs

3547523
3547523

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Popular Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzofuran-2-carboxamide N-[2-[4-(4-methoxyphenyl)piperaz…

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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) 3.37 8.5 -49.91 2 6 1 59 380.468 6 ↓

Analogs

13684614
13684614
38587695
38587695

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Popular Name: 7-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzofuran-2-carboxamide 7-methoxy-N-[2-[4-(4-methoxyphen…

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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) 3.38 7.78 -50.27 2 7 1 68 410.494 7 ↓

Analogs

13684108
13684108

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Popular Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-benzofuran-2-carboxamide N-[2-[4-(4-fluorophenyl)piperazi…

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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) 3.49 8.56 -51.92 2 6 1 59 398.458 6 ↓

Analogs

3313767
3313767

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Popular Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzofuran-2-carboxamide N-[2-[4-(2-methoxyphenyl)piperaz…

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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) 3.32 9.01 -44.96 2 6 1 59 380.468 6 ↓

Analogs

16622714
16622714

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Popular Name: 7-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzofuran-2-carboxamide 7-methoxy-N-[2-[4-(2-methoxyphen…

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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) 3.33 8.3 -43.2 2 7 1 68 410.494 7 ↓
Mid Mid (pH 6-8) 3.33 6.08 -11.4 1 7 0 67 409.486 7 ↓

Analogs

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Popular Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzofuran-2-carboxamide N-[2-[4-(4-chlorophenyl)piperazi…

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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) 3.99 9.74 -50.37 2 5 1 50 384.887 5 ↓
Mid Mid (pH 6-8) 3.99 7.53 -9.32 1 5 0 49 383.879 5 ↓

Analogs

13693442
13693442

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Popular Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-benzofuran-2-carboxamide N-[2-[4-(4-chlorophenyl)piperazi…

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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) 4.00 9.01 -50.75 2 6 1 59 414.913 6 ↓
Mid Mid (pH 6-8) 4.00 6.8 -10.8 1 6 0 58 413.905 6 ↓

Analogs

4999592
4999592

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Popular Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxy-benzofuran-2-carboxamide N-[2-[4-(2-fluorophenyl)piperazi…

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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) 3.44 9 -43.48 2 6 1 59 398.458 6 ↓
Mid Mid (pH 6-8) 3.44 6.79 -11.41 1 6 0 58 397.45 6 ↓

Analogs

3337541
3337541

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Popular Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzofuran-2-carboxamide N-[2-[4-(2-fluorophenyl)piperazi…

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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) 3.43 9.72 -42.91 2 5 1 50 368.432 5 ↓
Mid Mid (pH 6-8) 3.43 7.52 -9.74 1 5 0 49 367.424 5 ↓

Parameters Provided:

ring.id = 111203
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 = 111203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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