UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(3-oxo-3-pyrrolidin-1-yl-propyl)thiazolidin-2-one 3-(3-oxo-3-pyrrolidin-1-yl-propy…

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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) 0.62 4.4 -15.54 0 4 0 41 228.317 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]pyrrolidine-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) 0.21 5.32 -60.61 0 6 -1 81 285.345 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]pyrrolidine-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) 0.21 5.38 -58.65 0 6 -1 81 285.345 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]pyrrolidine-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) 0.54 5.97 -55.9 0 6 -1 81 299.372 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[3-(2-oxothiazolidin-3-yl)propanoyl]pyrrolidine-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) 0.54 5.89 -57.9 0 6 -1 81 299.372 5 ↓

Analogs

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Popular Name: (3S)-1-[3-(2-oxothiazolidin-3-yl)propanoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[3-(2-oxothiazolidin-3-yl…

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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) 1.10 6.74 -56.27 0 6 -1 81 313.399 6 ↓

Analogs

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Popular Name: (3R)-1-[3-(2-oxothiazolidin-3-yl)propanoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[3-(2-oxothiazolidin-3-yl…

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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) 1.10 6.63 -58.19 0 6 -1 81 313.399 6 ↓

Analogs

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Popular Name: 2-[(2R)-1-[3-(2-oxothiazolidin-3-yl)propanoyl]pyrrolidin-2-yl]acetic 2-[(2R)-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) 0.12 5.64 -62.25 0 6 -1 81 285.345 5 ↓

Analogs

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Popular Name: 2-[(2S)-1-[3-(2-oxothiazolidin-3-yl)propanoyl]pyrrolidin-2-yl]acetic 2-[(2S)-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) 0.12 5.68 -60.41 0 6 -1 81 285.345 5 ↓

Analogs

42434025
42434025

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Popular Name: 3-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxo-propyl]thiazolidin-2-one 3-[3-[(2R)-2-(hydroxymethyl)pyrr…

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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) -0.03 1.9 -16.41 1 5 0 61 258.343 4 ↓

Analogs

42434024
42434024

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Popular Name: 3-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxo-propyl]thiazolidin-2-one 3-[3-[(2S)-2-(hydroxymethyl)pyrr…

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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) -0.03 1.89 -15.33 1 5 0 61 258.343 4 ↓

Parameters Provided:

ring.id = 24100
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 = 24100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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