UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8979645
8979645
8979766
8979766
8979767
8979767

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Popular Name: N-[2-(4-phenylpiperazin-1-yl)carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzamide N-[2-(4-phenylpiperazin-1-yl)car…

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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) 3.58 -3.19 -12.23 1 6 0 65 432.549 4 ↓

Analogs

8979766
8979766
8979767
8979767
8979644
8979644

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Popular Name: N-[2-(4-phenylpiperazin-1-yl)carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzamide N-[2-(4-phenylpiperazin-1-yl)car…

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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) 3.58 -3.04 -13.04 1 6 0 65 432.549 4 ↓

Analogs

8979647
8979647

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Popular Name: N-[2-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami N-[2-[4-(2-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) 4.21 -2.87 -11.12 1 6 0 65 466.994 4 ↓

Analogs

8979646
8979646

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Popular Name: N-[2-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami N-[2-[4-(2-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) 4.21 -3.18 -13.07 1 6 0 65 466.994 4 ↓

Analogs

8979649
8979649

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Popular Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami N-[2-[4-(3-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) 4.24 -3.39 -11.05 1 6 0 65 466.994 4 ↓

Analogs

8979648
8979648

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Popular Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami N-[2-[4-(3-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) 4.24 -3.53 -12.44 1 6 0 65 466.994 4 ↓

Analogs

8979651
8979651

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Popular Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami 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) 3.70 -2.31 -12.08 1 6 0 65 450.539 4 ↓

Analogs

8979650
8979650

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Popular Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami 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) 3.70 -2.78 -13.17 1 6 0 65 450.539 4 ↓

Analogs

8979653
8979653

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Popular Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami 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) 3.75 -2.23 -12.41 1 6 0 65 450.539 4 ↓

Analogs

8979652
8979652

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Popular Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami 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) 3.75 -2.64 -13.34 1 6 0 65 450.539 4 ↓

Analogs

8979655
8979655

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Popular Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-thia-4-azabicyclo[3.3.0]octa-3,9-dien-3-yl]benzam N-[6-[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) 3.64 -3.28 -13.72 1 7 0 74 462.575 5 ↓

Analogs

8979654
8979654

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Popular Name: N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-thia-4-azabicyclo[3.3.0]octa-3,9-dien-3-yl]benzam N-[6-[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) 3.64 -2.97 -13.67 1 7 0 74 462.575 5 ↓

Analogs

8979657
8979657

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Popular Name: N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-thia-4-azabicyclo[3.3.0]octa-3,9-dien-3-yl]benzam N-[6-[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) 3.59 -2.98 -13.98 1 7 0 74 462.575 5 ↓

Analogs

8979656
8979656

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Popular Name: N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-thia-4-azabicyclo[3.3.0]octa-3,9-dien-3-yl]benzam N-[6-[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) 3.59 -2.95 -12.71 1 7 0 74 462.575 5 ↓

Analogs

8979669
8979669

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Popular Name: N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7 N-[2-[4-[3-(trifluoromethyl)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) 4.45 -1.08 -11.37 1 6 0 65 500.546 5 ↓

Analogs

8979668
8979668

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Popular Name: N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7 N-[2-[4-[3-(trifluoromethyl)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) 4.45 -1.2 -12.23 1 6 0 65 500.546 5 ↓

Analogs

8979671
8979671

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Popular Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami 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) 4.26 -3.12 -11.95 1 6 0 65 466.994 4 ↓

Analogs

8979670
8979670

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Popular Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]benzami 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) 4.26 -3.52 -12.78 1 6 0 65 466.994 4 ↓

Analogs

8979673
8979673

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Popular Name: N-[6-[4-(4-acetylphenyl)piperazin-1-yl]carbonyl-2-thia-4-azabicyclo[3.3.0]octa-3,9-dien-3-yl]benzami N-[6-[4-(4-acetylphenyl)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) 3.48 -3 -17.1 1 7 0 82 474.586 5 ↓

Analogs

8979672
8979672

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Popular Name: N-[6-[4-(4-acetylphenyl)piperazin-1-yl]carbonyl-2-thia-4-azabicyclo[3.3.0]octa-3,9-dien-3-yl]benzami N-[6-[4-(4-acetylphenyl)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) 3.48 -2.53 -14.54 1 7 0 82 474.586 5 ↓

Analogs

8979675
8979675

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Popular Name: N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-2-thia-4-azabicyclo[3.3.0]octa-3,9-dien-3-yl]benzam N-[6-[4-(3-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) 3.61 -3.36 -12.8 1 7 0 74 462.575 5 ↓

Analogs

8979674
8979674

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Popular Name: N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-2-thia-4-azabicyclo[3.3.0]octa-3,9-dien-3-yl]benzam N-[6-[4-(3-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) 3.61 -3.17 -12.53 1 7 0 74 462.575 5 ↓

Analogs

8979767
8979767
8979644
8979644
8979645
8979645

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Popular Name: 4-methyl-N-[2-(4-phenylpiperazin-1-yl)carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]-benzami 4-methyl-N-[2-(4-phenylpiperazin…

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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) 4.03 -2.87 -12.03 1 6 0 65 446.576 4 ↓

Analogs

8979644
8979644
8979645
8979645
8979766
8979766

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Popular Name: 4-methyl-N-[2-(4-phenylpiperazin-1-yl)carbonyl-6-thia-8-azabicyclo[3.3.0]octa-7,9-dien-7-yl]-benzami 4-methyl-N-[2-(4-phenylpiperazin…

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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) 4.03 -2.72 -12.79 1 6 0 65 446.576 4 ↓

Parameters Provided:

ring.id = 6131
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 = 6131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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