UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31686436
31686436

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Popular Name: N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(2-chlorobenzoyl)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) 1.50 4.45 -18.03 1 6 0 66 361.829 5 ↓
Mid Mid (pH 6-8) 1.50 6.77 -58.39 2 6 1 67 362.837 5 ↓

Analogs

44702692
44702692
20891802
20891802

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Popular Name: N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(4-fluorobenzoyl)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) 1.03 4.02 -14.15 1 6 0 66 345.374 5 ↓
Mid Mid (pH 6-8) 1.03 6.34 -57.58 2 6 1 67 346.382 5 ↓

Analogs

31687081
31687081
31687169
31687169

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Popular Name: N-[2-[4-(3-iodobenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(3-iodobenzoyl)piperazin…

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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) 1.93 5.04 -15.17 1 6 0 66 453.28 5 ↓
Mid Mid (pH 6-8) 1.93 7.37 -58.32 2 6 1 67 454.288 5 ↓

Analogs

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Popular Name: N-[2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(2,5-dichlorobenzoyl)pip…

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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) 2.15 5.21 -14.1 1 6 0 66 396.274 5 ↓
Mid Mid (pH 6-8) 2.15 7.49 -54.56 2 6 1 67 397.282 5 ↓

Analogs

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Popular Name: N-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(3,5-dimethoxybenzoyl)pi…

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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) 0.91 2.59 -16.59 1 8 0 84 387.436 7 ↓
Mid Mid (pH 6-8) 0.91 4.93 -57.06 2 8 1 85 388.444 7 ↓

Analogs

614982
614982

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Popular Name: N-[2-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(3-methyl-4-nitro-benzoy…

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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) 1.21 5.19 -16.06 1 9 0 112 386.408 6 ↓
Mid Mid (pH 6-8) 1.21 7.52 -63.5 2 9 1 113 387.416 6 ↓

Analogs

31687041
31687041

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Popular Name: N-[2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(2,4-difluorobenzoyl)pip…

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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) 1.13 4.36 -16.46 1 6 0 66 363.364 5 ↓
Mid Mid (pH 6-8) 1.13 6.63 -58.98 2 6 1 67 364.372 5 ↓

Analogs

25465333
25465333

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Popular Name: N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(4-ethylbenzoyl)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) 1.79 5.39 -14.64 1 6 0 66 355.438 6 ↓
Mid Mid (pH 6-8) 1.79 7.72 -55.69 2 6 1 67 356.446 6 ↓

Analogs

14234351
14234351

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Popular Name: N-[2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(3,5-difluorobenzoyl)pip…

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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) 1.13 4.11 -14.39 1 6 0 66 363.364 5 ↓
Mid Mid (pH 6-8) 1.13 6.43 -58.2 2 6 1 67 364.372 5 ↓

Analogs

7987699
7987699

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Popular Name: N-[2-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(4-methylsulfonylbenzoyl…

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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) -0.26 1.72 -23.17 1 8 0 100 405.476 6 ↓
Mid Mid (pH 6-8) -0.26 3.99 -66.96 2 8 1 101 406.484 6 ↓

Analogs

31674093
31674093
14140222
14140222

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Popular Name: N-[2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]ethyl]furan-2-carboxamide N-[2-[4-(3-methylsulfonylbenzoyl…

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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) -0.28 1.47 -23.39 1 8 0 100 405.476 6 ↓
Mid Mid (pH 6-8) -0.28 3.8 -65.46 2 8 1 101 406.484 6 ↓

Parameters Provided:

ring.id = 148520
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 = 148520 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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