UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4384920
4384920

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Popular Name: (5R)-2-imino-3-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-5-methyl-thiazolidin-4-one (5R)-2-imino-3-[5-[(4-isopropylp…

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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) 4.54 10.93 -10.73 1 4 0 57 345.493 4 ↓

Analogs

4384920
4384920

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Popular Name: (5S)-2-imino-3-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-5-methyl-thiazolidin-4-one (5S)-2-imino-3-[5-[(4-isopropylp…

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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) 4.54 10.93 -10.7 1 4 0 57 345.493 4 ↓

Analogs

11689760
11689760
11689759
11689759
4384918
4384918

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Popular Name: (5R)-2-imino-5-methyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]thiazolidin-4-one (5R)-2-imino-5-methyl-3-[5-[[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) 3.90 10.02 -12.14 1 4 0 57 371.409 4 ↓

Analogs

11689760
11689760
11689759
11689759
4384918
4384918

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Popular Name: (5S)-2-imino-5-methyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]thiazolidin-4-one (5S)-2-imino-5-methyl-3-[5-[[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) 3.90 10.02 -12.15 1 4 0 57 371.409 4 ↓

Analogs

16789808
16789808
16789806
16789806

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Popular Name: (5R)-3-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5R)-3-[5-[(4-fluorophenyl)methy…

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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) 3.20 9.07 -12.16 1 4 0 57 321.402 3 ↓

Analogs

16789808
16789808
16789806
16789806

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Popular Name: (5S)-3-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5S)-3-[5-[(4-fluorophenyl)methy…

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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) 3.19 9.07 -12.12 1 4 0 57 321.402 3 ↓

Analogs

16789808
16789808
16789806
16789806

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Popular Name: (5R)-3-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5R)-3-[5-[(2-fluorophenyl)methy…

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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) 3.15 9.04 -11.77 1 4 0 57 321.402 3 ↓

Analogs

16789808
16789808
16789806
16789806

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Popular Name: (5S)-3-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5S)-3-[5-[(2-fluorophenyl)methy…

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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) 3.15 9.04 -11.77 1 4 0 57 321.402 3 ↓

Analogs

11689760
11689760
11689759
11689759
5001305
5001305

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Popular Name: (5R)-3-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-o (5R)-3-[5-[[2-chloro-5-(trifluor…

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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) 4.53 10.23 -10.97 1 4 0 57 405.854 4 ↓

Analogs

11689760
11689760
11689759
11689759
5001305
5001305

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Popular Name: (5S)-3-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-o (5S)-3-[5-[[2-chloro-5-(trifluor…

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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) 4.53 10.23 -11.02 1 4 0 57 405.854 4 ↓

Analogs

4384916
4384916
5001299
5001299

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Popular Name: 2-imino-3-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]thiazolidin-4-one 2-imino-3-[5-[(3-nitrophenyl)met…

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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) 2.60 9.03 -17.83 1 7 0 103 334.382 4 ↓

Analogs

16789806
16789806
16789808
16789808

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Popular Name: (5R)-2-imino-5-methyl-3-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]thiazolidin-4-one (5R)-2-imino-5-methyl-3-[5-[(3-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) 2.97 9.72 -16.13 1 7 0 103 348.409 4 ↓

Analogs

16789806
16789806
16789808
16789808

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-imino-5-methyl-3-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]thiazolidin-4-one (5S)-2-imino-5-methyl-3-[5-[(3-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) 2.97 9.72 -16.14 1 7 0 103 348.409 4 ↓

Analogs

4384923
4384923

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Popular Name: 3-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-imino-thiazolidin-4-one 3-[5-[(2,5-dichlorophenyl)methyl…

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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) 3.95 9.21 -11.59 1 4 0 57 358.275 3 ↓

Analogs

11689755
11689755
11689756
11689756

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Popular Name: (5R)-3-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5R)-3-[5-[(2,5-dichlorophenyl)m…

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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) 4.32 9.89 -10.6 1 4 0 57 372.302 3 ↓

Analogs

11689755
11689755
11689756
11689756

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Popular Name: (5S)-3-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-imino-5-methyl-thiazolidin-4-one (5S)-3-[5-[(2,5-dichlorophenyl)m…

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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) 4.32 9.89 -10.6 1 4 0 57 372.302 3 ↓

Parameters Provided:

ring.id = 2689
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 = 2689 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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