UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11990691
11990691
11990692
11990692
11990693
11990693
12660844
12660844
12660846
12660846

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Popular Name: methyl 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) 4.99 3.07 -6.25 0 4 0 53 481.471 5 ↓

Analogs

11990692
11990692
11990693
11990693
12660844
12660844
12660846
12660846
36372110
36372110

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Popular Name: methyl 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) 4.99 3.09 -6.55 0 4 0 53 481.471 5 ↓

Analogs

11990693
11990693
12660844
12660844
12660846
12660846
36372110
36372110
36372111
36372111

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.99 2.91 -6.41 0 4 0 53 481.471 5 ↓

Analogs

12660844
12660844
12660846
12660846
36372110
36372110
36372111
36372111
36372112
36372112

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Popular Name: methyl 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) 4.99 2.84 -8.36 0 4 0 53 481.471 5 ↓

Analogs

11990695
11990695
11990696
11990696
36372175
36372175
36372177
36372177
950003
950003

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Popular Name: (2R)-2-(dimethyl-oxo-BLAHyl)propanoic (2R)-2-(dimethyl-oxo-BLAHyl)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) 3.69 1.47 -50.86 0 4 -1 66 359.486 2 ↓

Analogs

11990696
11990696
36372175
36372175
36372177
36372177
11990694
11990694
950003
950003

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(dimethyl-oxo-BLAHyl)propanoic (2S)-2-(dimethyl-oxo-BLAHyl)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) 3.69 1.34 -49.25 0 4 -1 66 359.486 2 ↓

Analogs

36372175
36372175
36372177
36372177
11990694
11990694
11990695
11990695
950003
950003

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(dimethyl-oxo-BLAHyl)propanoic (2R)-2-(dimethyl-oxo-BLAHyl)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) 3.69 1.36 -50.65 0 4 -1 66 359.486 2 ↓

Analogs

36372114
36372114
36372115
36372115
36372117
36372117
36372158
36372158
36372160
36372160

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.53 11.08 -8.08 0 4 0 53 402.575 5 ↓

Analogs

36372114
36372114
36372115
36372115
36372117
36372117
36372158
36372158
36372160
36372160

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.53 11.17 -8.11 0 4 0 53 402.575 5 ↓

Analogs

36372114
36372114
36372115
36372115
36372117
36372117
36372158
36372158
36372160
36372160

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 4.53 11.25 -10.42 0 4 0 53 402.575 5 ↓

Analogs

36372114
36372114
36372115
36372115
36372117
36372117
36372158
36372158
36372160
36372160

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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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 11.24 -8.65 0 4 0 53 402.575 5 ↓

Analogs

11990694
11990694
11990695
11990695
11990696
11990696
36372175
36372175
36372177
36372177

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[keto(dimethyl)BLAHyl]propionate (2S)-2-[keto(dimethyl)BLAHyl]pro…

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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) 3.69 1.39 -57.87 0 4 -1 66 359.486 2 ↓

Parameters Provided:

ring.id = 66102
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 = 66102 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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