UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11998216
11998216
11998642
11998642
11998645
11998645

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Popular Name: N-[(2S)-2-(1-piperidyl)-2-(p-tolyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-(1-piperidyl)-2-(p-tol…

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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) 3.01 -3.82 -55.26 2 7 1 88 456.588 6 ↓

Analogs

11998642
11998642
11998645
11998645
11998213
11998213

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Popular Name: N-[(2R)-2-(1-piperidyl)-2-(p-tolyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-(1-piperidyl)-2-(p-tol…

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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) 3.01 -3.45 -58.94 2 7 1 88 456.588 6 ↓

Analogs

11998639
11998639

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Popular Name: N-[(2R)-2-(4-chlorophenyl)-2-(4-methyl-1-piperidyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benza N-[(2R)-2-(4-chlorophenyl)-2-(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) 3.48 -3.41 -62.65 2 7 1 88 491.033 6 ↓

Analogs

11998634
11998634

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Popular Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperidyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benza N-[(2S)-2-(4-chlorophenyl)-2-(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) 3.48 -4.19 -64.24 2 7 1 88 491.033 6 ↓

Analogs

11998645
11998645
11998720
11998720
11998724
11998724
11998213
11998213
11998216
11998216

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Popular Name: N-[(2R)-2-(4-methyl-1-piperidyl)-2-(p-tolyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-(4-methyl-1-piperidyl)…

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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) 3.25 -2.94 -58.18 2 7 1 88 470.615 6 ↓

Analogs

11998720
11998720
11998724
11998724
11998213
11998213
11998216
11998216

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methyl-1-piperidyl)-2-(p-tolyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-(4-methyl-1-piperidyl)…

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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) 3.25 -3.72 -59.7 2 7 1 88 470.615 6 ↓

Analogs

11998680
11998680

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Popular Name: N-[(2S)-2-(2-methoxyphenyl)-2-(1-piperidyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-(2-methoxyphenyl)-2-(1…

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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) 2.57 -3.71 -55.24 2 8 1 97 472.587 7 ↓

Analogs

11998679
11998679

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Popular Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-piperidyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-(2-methoxyphenyl)-2-(1…

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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) 2.57 -3.55 -56.11 2 8 1 97 472.587 7 ↓

Analogs

11998699
11998699

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Popular Name: N-[(2S)-2-(4-ethoxyphenyl)-2-(1-piperidyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-(4-ethoxyphenyl)-2-(1-…

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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) 2.99 -4.11 -58.01 2 8 1 97 486.614 8 ↓

Analogs

11998694
11998694

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Popular Name: N-[(2R)-2-(4-ethoxyphenyl)-2-(1-piperidyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-(4-ethoxyphenyl)-2-(1-…

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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) 2.99 -3.73 -61.75 2 8 1 97 486.614 8 ↓

Analogs

11998724
11998724
11998642
11998642
11998645
11998645

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Popular Name: N-[(2R)-2-(4-methyl-1-piperidyl)-2-phenyl-ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-(4-methyl-1-piperidyl)…

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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) 2.80 -3.78 -55.71 2 7 1 88 456.588 6 ↓

Analogs

11998642
11998642
11998645
11998645
11998720
11998720

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methyl-1-piperidyl)-2-phenyl-ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-(4-methyl-1-piperidyl)…

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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) 2.80 -3.77 -56.92 2 7 1 88 456.588 6 ↓

Analogs

11998764
11998764

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Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperidyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benz N-[(2S)-2-(4-methoxyphenyl)-2-(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) 2.86 -4.02 -62.54 2 8 1 97 486.614 7 ↓

Analogs

11998762
11998762

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Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperidyl)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benz N-[(2R)-2-(4-methoxyphenyl)-2-(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) 2.86 -3.25 -61.22 2 8 1 97 486.614 7 ↓

Parameters Provided:

ring.id = 68830
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 = 68830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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