UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[3-oxo-3-(1-piperidyl)propyl]thiazolidin-2-one 3-[3-oxo-3-(1-piperidyl)propyl]t…

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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) 1.12 5.15 -15.21 0 4 0 41 242.344 3 ↓

Analogs

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Popular Name: 1-[3-(2-oxothiazolidin-3-yl)propanoyl]piperidine-4-carboxylic 1-[3-(2-oxothiazolidin-3-yl)prop…

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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) 0.24 5.63 -58.22 0 6 -1 81 285.345 4 ↓

Analogs

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Popular Name: 4-methyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]piperidine-4-carboxylic 4-methyl-1-[3-(2-oxothiazolidin-…

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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) 0.48 5.96 -54.12 0 6 -1 81 299.372 4 ↓

Analogs

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Popular Name: 4-ethyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]piperidine-4-carboxylic 4-ethyl-1-[3-(2-oxothiazolidin-3…

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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) 0.81 6.44 -53.22 0 6 -1 81 313.399 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]piperidine-3-carboxylic (3S)-3-methyl-1-[3-(2-oxothiazol…

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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) 0.48 6.38 -60.78 0 6 -1 81 299.372 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]piperidine-3-carboxylic (3R)-3-methyl-1-[3-(2-oxothiazol…

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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) 0.48 6.4 -60.58 0 6 -1 81 299.372 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[3-(2-oxothiazoli…

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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) 0.81 6.84 -58.92 0 6 -1 81 313.399 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]piperidine-3-carboxylic (3R)-3-ethyl-1-[3-(2-oxothiazoli…

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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) 0.81 6.88 -58.52 0 6 -1 81 313.399 5 ↓

Analogs

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Popular Name: 2-[1-[3-(2-oxothiazolidin-3-yl)propanoyl]-4-piperidyl]acetamide 2-[1-[3-(2-oxothiazolidin-3-yl)p…

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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) 0.17 2.52 -18.54 2 6 0 84 299.396 5 ↓

Analogs

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Popular Name: N-[(3R)-1-[3-(2-oxothiazolidin-3-yl)propanoyl]-3-piperidyl]acetamide N-[(3R)-1-[3-(2-oxothiazolidin-3…

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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) -0.25 3.47 -26.82 1 6 0 70 299.396 4 ↓

Analogs

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Popular Name: N-[(3S)-1-[3-(2-oxothiazolidin-3-yl)propanoyl]-3-piperidyl]acetamide N-[(3S)-1-[3-(2-oxothiazolidin-3…

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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) -0.25 3.47 -24.73 1 6 0 70 299.396 4 ↓

Parameters Provided:

ring.id = 24057
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 = 24057 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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