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

Analogs

394152
394152

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-(3-dimethylaminopropyl)-1,5-diphenyl-pyrrolidine-2,4-dione (3R,5R)-3-(3-dimethylaminopropyl…

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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) 2.92 11.93 -37.12 1 4 1 42 337.443 6 ↓
Hi High (pH 8-9.5) 3.50 10.89 -44.14 1 4 0 48 336.435 6 ↓
Hi High (pH 8-9.5) 3.50 10.91 -44.16 1 4 0 48 336.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3,5-dibenzylpyrrolidine-2,4-dione (3R,5R)-3,5-dibenzylpyrrolidine-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72874-1-V Human Immunodeficiency Virus Type 1 Protease (cluster #1 Of 3), Viral Viruses 0 0.00 Binding ≤ 10μM
Z80295-1-O MT4 (Lymphocytes) (cluster #1 Of 8), Other Other 300 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72874_9HIV1 Q72874 Human Immunodeficiency Virus Type 1 Protease, 9hiv1 0.1 0.67 Binding ≤ 1μM
Q72874_9HIV1 Q72874 Human Immunodeficiency Virus Type 1 Protease, 9hiv1 0.1 0.67 Binding ≤ 10μM
Z80295 Z80295 MT4 (Lymphocytes) 300 0.43 Functional ≤ 10μM

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) 2.42 7.96 -7.19 1 3 0 46 279.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one (8aR)-2-(2,4-dichlorophenyl)-1-h…

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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) 2.47 7.63 -8.22 0 3 0 37 298.169 1 ↓
Hi High (pH 8-9.5) 3.23 6.67 -40.37 0 3 -1 43 297.161 1 ↓
Hi High (pH 8-9.5) 3.23 6.66 -40.13 0 3 -1 43 297.161 1 ↓

Analogs

60261771
60261771

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-[(3R,5S)-1-isopentyl-5-isopropyl-5-methyl-2,4-dioxo-pyrrolidin-3-yl]-1,1-dioxo-4H-benzo[e][1,2 2-[[3-[(3R,5S)-1-isopentyl-5-iso…

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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) 1.54 4.39 -34.42 2 10 0 150 477.563 8 ↓
Hi High (pH 8-9.5) 2.12 3.59 -133.75 2 10 -2 156 476.555 8 ↓
Mid Mid (pH 6-8) 2.12 4.01 -61.52 3 10 -1 154 477.563 8 ↓

Parameters Provided:

ring.id = 53147
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 = 53147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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