UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38738703
38738703
44960576
44960576
44960577
44960577

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Popular Name: (4aR,7aS)-6-(5-phenylpentanoyl)-7a-propyl-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione (4aR,7aS)-6-(5-phenylpentanoyl)-…

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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) 3.11 6.84 -11.78 2 6 0 79 357.454 7 ↓

Analogs

44960576
44960576
44960577
44960577
38738702
38738702

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-6-(5-phenylpentanoyl)-7a-propyl-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione (4aR,7aR)-6-(5-phenylpentanoyl)-…

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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) 3.11 7.07 -13.39 2 6 0 79 357.454 7 ↓

Analogs

38738738
38738738
38738739
38738739
38738740
38738740

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Popular Name: (4aS,7aS)-6-(furan-3-carbonyl)-7a-propyl-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione (4aS,7aS)-6-(furan-3-carbonyl)-7…

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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) 0.20 1.74 -18.85 2 7 0 92 291.307 3 ↓

Analogs

38738739
38738739
38738740
38738740
38738737
38738737

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-6-(furan-3-carbonyl)-7a-propyl-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione (4aS,7aR)-6-(furan-3-carbonyl)-7…

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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) 0.20 0.97 -16.88 2 7 0 92 291.307 3 ↓

Analogs

38738740
38738740
38738737
38738737
38738738
38738738

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-6-(furan-3-carbonyl)-7a-propyl-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione (4aR,7aS)-6-(furan-3-carbonyl)-7…

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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) 0.20 1.41 -13.33 2 7 0 92 291.307 3 ↓

Analogs

38738737
38738737
38738738
38738738
38738739
38738739

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-6-(furan-3-carbonyl)-7a-propyl-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione (4aR,7aR)-6-(furan-3-carbonyl)-7…

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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) 0.20 1.64 -15.42 2 7 0 92 291.307 3 ↓

Analogs

38738849
38738849
38738852
38738852
38738854
38738854

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aS)-6-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]-7a-propyl-1,4a,5,7-tetrahydropyr (4aS,7aS)-6-[2-[(1S,2R,5S)-2-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) 3.65 7.09 -13.95 2 7 0 88 393.528 6 ↓

Analogs

38738852
38738852
38738854
38738854
38738847
38738847

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-6-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]-7a-propyl-1,4a,5,7-tetrahydropyr (4aS,7aR)-6-[2-[(1S,2R,5S)-2-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) 3.65 6.35 -12.91 2 7 0 88 393.528 6 ↓

Analogs

38738854
38738854
38738847
38738847
38738849
38738849

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-6-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]-7a-propyl-1,4a,5,7-tetrahydropyr (4aR,7aS)-6-[2-[(1S,2R,5S)-2-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) 3.65 6.79 -13.01 2 7 0 88 393.528 6 ↓

Analogs

38738847
38738847
38738849
38738849
38738852
38738852

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-6-[2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]acetyl]-7a-propyl-1,4a,5,7-tetrahydropyr (4aR,7aR)-6-[2-[(1S,2R,5S)-2-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) 3.65 7.01 -14.68 2 7 0 88 393.528 6 ↓

Parameters Provided:

ring.id = 600731
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 = 600731 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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