UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11997624
11997624
11997558
11997558
11997560
11997560

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Popular Name: N-[(2S)-2-(1-piperidyl)-2-(p-tolyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide 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) 2.91 -7.94 -53.64 2 8 1 105 492.643 7 ↓

Analogs

11997558
11997558
11997560
11997560

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1-piperidyl)-2-(p-tolyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide 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) 2.91 -7.78 -52.78 2 8 1 105 492.643 7 ↓

Analogs

11998424
11998424

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methyl-1-piperidyl)-2-phenyl-ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfona 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) 2.70 -6.91 -55.43 2 8 1 105 492.643 7 ↓

Analogs

11998421
11998421

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 2.70 -7.46 -55.93 2 8 1 105 492.643 7 ↓

Parameters Provided:

ring.id = 68506
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 = 68506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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