UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(4R)-2-oxothiazolidine-…

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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) 0.72 3.96 -56.78 2 6 -1 98 293.324 4 ↓

Analogs

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Popular Name: (2S)-2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(4R)-2-oxothiazolidine-…

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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) 0.72 3.96 -55.91 2 6 -1 98 293.324 4 ↓

Analogs

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Popular Name: (2R)-2-[[(4S)-2-oxothiazolidine-4-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(4S)-2-oxothiazolidine-…

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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) 0.72 3.96 -55.89 2 6 -1 98 293.324 4 ↓

Analogs

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Popular Name: (2S)-2-[[(4S)-2-oxothiazolidine-4-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(4S)-2-oxothiazolidine-…

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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) 0.72 3.96 -56.8 2 6 -1 98 293.324 4 ↓

Analogs

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Popular Name: (4R)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[[4-(2-aminoethyl)phenyl]…

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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) -0.18 0.86 -59.33 5 5 1 86 280.373 5 ↓

Analogs

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Popular Name: (4S)-N-[[4-(2-aminoethyl)phenyl]methyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[[4-(2-aminoethyl)phenyl]…

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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) -0.18 0.86 -59.34 5 5 1 86 280.373 5 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[(1S)-2-hydroxy-1-phenyl-…

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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) 0.39 -0.29 -13.74 3 5 0 78 266.322 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[(1R)-2-hydroxy-1-phenyl-…

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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) 0.39 -0.29 -13.68 3 5 0 78 266.322 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[(1S)-2-hydroxy-1-phenyl-…

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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) 0.39 -0.29 -13.68 3 5 0 78 266.322 4 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[(1R)-2-hydroxy-1-phenyl-…

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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) 0.39 -0.29 -13.75 3 5 0 78 266.322 4 ↓

Analogs

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Popular Name: 3-[[[(4R)-2-oxothiazolidine-4-carbonyl]amino]methyl]benzoic 3-[[[(4R)-2-oxothiazolidine-4-ca…

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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) 0.73 2.6 -56.94 2 6 -1 98 279.297 4 ↓

Analogs

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Popular Name: 3-[[[(4S)-2-oxothiazolidine-4-carbonyl]amino]methyl]benzoic 3-[[[(4S)-2-oxothiazolidine-4-ca…

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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) 0.73 2.6 -55.52 2 6 -1 98 279.297 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[(1S)-1-(4-bromophenyl)et…

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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) 2.21 3.51 -14.81 2 4 0 58 329.219 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(4-bromophenyl)ethyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[(1R)-1-(4-bromophenyl)et…

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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) 2.21 3.51 -15.17 2 4 0 58 329.219 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[(1S)-1-(4-bromophenyl)et…

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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) 2.21 3.51 -15.2 2 4 0 58 329.219 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(4-bromophenyl)ethyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[(1R)-1-(4-bromophenyl)et…

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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) 2.21 3.51 -14.84 2 4 0 58 329.219 3 ↓

Analogs

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Popular Name: 4-[[methyl-[(4R)-2-oxothiazolidine-4-carbonyl]amino]methyl]benzoic 4-[[methyl-[(4R)-2-oxothiazolidi…

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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) 1.00 4.58 -61.24 1 6 -1 90 293.324 4 ↓

Analogs

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Popular Name: 4-[[methyl-[(4S)-2-oxothiazolidine-4-carbonyl]amino]methyl]benzoic 4-[[methyl-[(4S)-2-oxothiazolidi…

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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) 1.00 4.65 -62.6 1 6 -1 90 293.324 4 ↓

Analogs

42435463
42435463

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Popular Name: (4R)-N-[(3-bromophenyl)methyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[(3-bromophenyl)methyl]-2…

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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) 1.63 2.65 -14.4 2 4 0 58 315.192 3 ↓

Analogs

42435462
42435462

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Popular Name: (4S)-N-[(3-bromophenyl)methyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[(3-bromophenyl)methyl]-2…

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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) 1.63 2.65 -14.11 2 4 0 58 315.192 3 ↓

Analogs

42435549
42435549

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Popular Name: (4R)-N-[(2-bromophenyl)methyl]-2-oxo-thiazolidine-4-carboxamide (4R)-N-[(2-bromophenyl)methyl]-2…

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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) 1.60 2.54 -13.36 2 4 0 58 315.192 3 ↓

Analogs

42435548
42435548

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Popular Name: (4S)-N-[(2-bromophenyl)methyl]-2-oxo-thiazolidine-4-carboxamide (4S)-N-[(2-bromophenyl)methyl]-2…

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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) 1.60 2.54 -13.75 2 4 0 58 315.192 3 ↓

Analogs

42440572
42440572

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Popular Name: (4R)-N-[(3-bromophenyl)methyl]-N-methyl-2-oxo-thiazolidine-4-carboxamide (4R)-N-[(3-bromophenyl)methyl]-N…

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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) 1.87 4.62 -17.08 1 4 0 49 329.219 3 ↓

Analogs

42440570
42440570

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Popular Name: (4S)-N-[(3-bromophenyl)methyl]-N-methyl-2-oxo-thiazolidine-4-carboxamide (4S)-N-[(3-bromophenyl)methyl]-N…

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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) 1.87 4.7 -17.44 1 4 0 49 329.219 3 ↓

Parameters Provided:

ring.id = 30123
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 = 30123 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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