UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide 4-chloro-N-[2-[4-(4-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) 3.59 7.18 -10.31 1 4 0 36 361.848 5 ↓

Analogs

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Popular Name: 4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide 4-chloro-N-[2-[4-(4-methoxypheny…

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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) 3.48 6.41 -10.93 1 5 0 45 373.884 6 ↓

Analogs

26066777
26066777

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Popular Name: 4-(diethylsulfamoyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide 4-(diethylsulfamoyl)-N-[2-(4-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) 2.82 8.53 -57.21 2 7 1 74 445.609 9 ↓
Mid Mid (pH 6-8) 2.82 6.33 -15.04 1 7 0 73 444.601 9 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-3-propoxy-benzamide N-[(2R)-2-(4-phenylpiperazin-1-y…

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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 8.4 -11.02 1 5 0 45 381.52 8 ↓
Mid Mid (pH 6-8) 3.99 10.46 -50.96 2 5 1 46 382.528 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-phenylpiperazin-1-yl)propyl]-3-propoxy-benzamide N-[(2S)-2-(4-phenylpiperazin-1-y…

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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 8.47 -11.11 1 5 0 45 381.52 8 ↓
Mid Mid (pH 6-8) 3.99 10.42 -51.51 2 5 1 46 382.528 8 ↓

Analogs

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Popular Name: N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-propoxy-benzamide 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) 3.66 7.63 -12.65 1 5 0 45 367.493 8 ↓
Mid Mid (pH 6-8) 3.66 9.84 -51.84 2 5 1 46 368.501 8 ↓

Analogs

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Popular Name: 3,5-dichloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide 3,5-dichloro-N-[2-[4-(4-methoxyp…

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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) 4.09 6.91 -9.73 1 5 0 45 408.329 6 ↓

Analogs

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Popular Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-benzamide 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) 3.19 6.88 -13.05 1 5 0 45 385.533 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.98 6.57 -13.03 1 7 0 71 397.475 8 ↓

Analogs

26525342
26525342

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Popular Name: 2-bromo-5-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide 2-bromo-5-methoxy-N-[2-[4-(4-met…

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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) 3.60 5.81 -11.49 1 6 0 54 448.361 7 ↓

Analogs

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Popular Name: 4-(diethylsulfamoyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide 4-(diethylsulfamoyl)-N-[2-[4-(4-…

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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) 2.87 5.61 -16.49 1 8 0 82 474.627 10 ↓

Analogs

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Popular Name: 4-(dimethylamino)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide 4-(dimethylamino)-N-[2-[4-(4-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) 3.02 7.1 -11.95 1 5 0 39 370.472 6 ↓
Mid Mid (pH 6-8) 3.02 9.31 -53.32 2 5 1 40 371.48 6 ↓

Analogs

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Popular Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-benzamide 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) 3.30 7.66 -12.42 1 4 0 36 373.497 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.08 7.35 -12.54 1 6 0 62 385.439 7 ↓

Analogs

56965741
56965741

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Popular Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide 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) 4.63 8.68 -9.98 1 4 0 36 463.397 7 ↓

Analogs

2857741
2857741

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Popular Name: 2-ethylsulfanyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide 2-ethylsulfanyl-N-[2-[4-(2-metho…

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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) 3.52 8.27 -13.01 1 5 0 45 399.56 8 ↓

Analogs

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Popular Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-ethylsulfanyl-benzamide 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) 4.19 11.2 -52.57 2 4 1 37 404.987 7 ↓
Mid Mid (pH 6-8) 4.19 8.99 -11.7 1 4 0 36 403.979 7 ↓

Analogs

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Popular Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-iodo-benzamide 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) 3.90 8.19 -10.52 1 4 0 36 453.299 5 ↓

Analogs

26067246
26067246

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Popular Name: 4-(diethylsulfamoyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide 4-(diethylsulfamoyl)-N-[2-[4-(2-…

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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) 2.93 6.83 -15.42 1 7 0 73 462.591 9 ↓

Analogs

56965964
56965964
34668405
34668405

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Popular Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide 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) 4.58 9.12 -9.26 1 4 0 36 463.397 7 ↓

Analogs

3518761
3518761

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Popular Name: 3-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide 3-cyano-N-[2-[4-(4-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) 2.54 6.28 -16.22 1 6 0 69 364.449 6 ↓

Parameters Provided:

ring.id = 29597
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 = 29597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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