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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2785528
2785528

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,5R)-2-[(1,3-dimethylpyrazol-4-yl)methylene]-5-(4-hydroxy-3-methoxy-phenyl)-3-keto-7-methyl-N-phe (2E,5R)-2-[(1,3-dimethylpyrazol-…

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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) 4.14 -1.55 -17.82 2 9 0 110 515.595 5 ↓

Analogs

2785526
2785526

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Popular Name: (2E,5S)-2-[(1,3-dimethylpyrazol-4-yl)methylene]-5-(4-hydroxy-3-methoxy-phenyl)-3-keto-7-methyl-N-phe (2E,5S)-2-[(1,3-dimethylpyrazol-…

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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) 4.14 9.5 -20.23 2 9 0 111 515.595 5 ↓

Analogs

2785907
2785907
2787738
2787738
2787740
2787740

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,5R)-2-[(1,5-dimethylpyrazol-4-yl)methylene]-5-(4-hydroxy-3-methoxy-phenyl)-3-keto-7-methyl-N-phe (2E,5R)-2-[(1,5-dimethylpyrazol-…

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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) 4.14 9.3 -23.18 2 9 0 111 515.595 5 ↓

Analogs

2787738
2787738
2787740
2787740
2785905
2785905

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,5S)-2-[(1,5-dimethylpyrazol-4-yl)methylene]-5-(4-hydroxy-3-methoxy-phenyl)-3-keto-7-methyl-N-phe (2E,5S)-2-[(1,5-dimethylpyrazol-…

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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) 4.14 9.29 -24.31 2 9 0 111 515.595 5 ↓

Analogs

8454876
8454876
8454877
8454877
17136312
17136312
17136315
17136315
1003066
1003066

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Popular Name: (2E,5R)-2-[(1,3-dimethylpyrazol-4-yl)methylene]-3-keto-7-methyl-N,5-diphenyl-5H-thiazolo[3,2-a]pyrim (2E,5R)-2-[(1,3-dimethylpyrazol-…

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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) 4.80 12.42 -18.56 1 7 0 81 469.57 4 ↓

Analogs

8454876
8454876
8454877
8454877
17136312
17136312
17136315
17136315
1003066
1003066

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,5S)-2-[(1,3-dimethylpyrazol-4-yl)methylene]-3-keto-7-methyl-N,5-diphenyl-5H-thiazolo[3,2-a]pyrim (2E,5S)-2-[(1,3-dimethylpyrazol-…

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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) 4.80 11.88 -17.53 1 7 0 81 469.57 4 ↓

Analogs

30849592
30849592
30849596
30849596

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Popular Name: (2Z,5R)-5-(4-hydroxy-3-methoxy-phenyl)-3-keto-7-methyl-2-[(1-methylpyrazol-4-yl)methylene]-N-phenyl- (2Z,5R)-5-(4-hydroxy-3-methoxy-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) 3.92 8.68 -19.1 2 9 0 111 501.568 5 ↓
Hi High (pH 8-9.5) 4.10 8.1 -59.44 1 9 -1 117 500.56 5 ↓

Analogs

30849592
30849592
30849596
30849596

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5S)-5-(4-hydroxy-3-methoxy-phenyl)-3-keto-7-methyl-2-[(1-methylpyrazol-4-yl)methylene]-N-phenyl- (2Z,5S)-5-(4-hydroxy-3-methoxy-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) 3.92 8.62 -19.34 2 9 0 111 501.568 5 ↓
Hi High (pH 8-9.5) 4.10 8.08 -57.38 1 9 -1 117 500.56 5 ↓

Analogs

2797189
2797189
20601964
20601964
20601965
20601965
650119
650119

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide 2-[(1-ethyl-5-methyl-1H-pyrazol-…

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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) 5.58 0.67 -19.85 1 7 0 81 497.624 5 ↓

Analogs

20601964
20601964
20601965
20601965
2797187
2797187
650119
650119

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide 2-[(1-ethyl-5-methyl-1H-pyrazol-…

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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) 5.58 0.27 -19.41 1 7 0 81 497.624 5 ↓

Parameters Provided:

ring.id = 235207
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 = 235207 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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