UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34798038
34798038
34798039
34798039
1301217
1301217
4237634
4237634

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Popular Name: oxo-[(3,4,5-trimethoxyphenyl)methyl]BLAHcarboxylic oxo-[(3,4,5-trimethoxyphenyl)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) 0.81 -0.47 -59.9 0 8 -1 97 374.369 6 ↓

Analogs

4237639
4237639

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Popular Name: (2,3-dichlorophenyl)methyl-oxo-BLAHcarboxylic (2,3-dichlorophenyl)methyl-oxo-B…

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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) 2.44 -1.55 -51.85 0 5 -1 70 353.181 3 ↓

Analogs

217073
217073
244453
244453

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Popular Name: 3-benzyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylicacid 3-benzyl-4-oxo-10-oxa-3-azatricy…

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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) 1.18 -1.24 -59.59 0 5 -1 70 284.291 3 ↓

Analogs

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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) 2.36 7.29 -12.92 0 5 0 56 313.353 4 ↓

Analogs

2145701
2145701
2145703
2145703
2145706
2145706
2145708
2145708
5686411
5686411

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Popular Name: keto-[(1S)-1-phenylethyl]BLAHcarboxylic-acid-propyl-ester keto-[(1S)-1-phenylethyl]BLAHcar…

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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) 3.24 1.1 -12.36 0 5 0 55 341.407 6 ↓

Analogs

2145701
2145701
2145703
2145703
2145706
2145706
2145708
2145708
203697
203697

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Popular Name: keto-[(1S)-1-phenylethyl]BLAHcarboxylic-acid-propyl-ester keto-[(1S)-1-phenylethyl]BLAHcar…

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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) 3.24 1.51 -17.37 0 5 0 55 341.407 6 ↓

Analogs

2145701
2145701
2145703
2145703
2145706
2145706
2145708
2145708
203697
203697

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Popular Name: keto-[(1R)-1-phenylethyl]BLAHcarboxylic-acid-propyl-ester keto-[(1R)-1-phenylethyl]BLAHcar…

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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) 3.24 1.14 -12.53 0 5 0 55 341.407 6 ↓

Analogs

2145701
2145701
2145703
2145703
2145706
2145706
2145708
2145708
203697
203697

Draw Identity 99% 90% 80% 70%

Popular Name: keto-[(1R)-1-phenylethyl]BLAHcarboxylic-acid-propyl-ester keto-[(1R)-1-phenylethyl]BLAHcar…

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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) 3.24 1.39 -17.61 0 5 0 55 341.407 6 ↓

Analogs

5825536
5825536
5825544
5825544

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Popular Name: keto-[(1S)-1-phenylethyl]BLAHcarboxylic-acid-isobutyl-ester keto-[(1S)-1-phenylethyl]BLAHcar…

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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) 3.48 10.2 -12.24 0 5 0 56 355.434 6 ↓

Analogs

5825536
5825536
5825544
5825544

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Popular Name: keto-[(1S)-1-phenylethyl]BLAHcarboxylic-acid-isobutyl-ester keto-[(1S)-1-phenylethyl]BLAHcar…

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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) 3.48 11.01 -17.15 0 5 0 56 355.434 6 ↓

Analogs

5825536
5825536
5825544
5825544

Draw Identity 99% 90% 80% 70%

Popular Name: keto-[(1R)-1-phenylethyl]BLAHcarboxylic-acid-isobutyl-ester keto-[(1R)-1-phenylethyl]BLAHcar…

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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) 3.48 9.84 -11.95 0 5 0 56 355.434 6 ↓

Analogs

5825536
5825536
5825544
5825544

Draw Identity 99% 90% 80% 70%

Popular Name: keto-[(1R)-1-phenylethyl]BLAHcarboxylic-acid-isobutyl-ester keto-[(1R)-1-phenylethyl]BLAHcar…

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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) 3.48 10.73 -17.63 0 5 0 56 355.434 6 ↓

Parameters Provided:

ring.id = 102550
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 = 102550 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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