UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15916335
15916335

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Popular Name: 3-[(4-chlorophenyl)methyl]-7H-purine-2,6-dione 3-[(4-chlorophenyl)methyl]-7H-pu…

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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) 1.25 5.56 -11.29 2 6 0 84 276.683 2 ↓
Mid Mid (pH 6-8) 1.71 4.17 -33.92 1 6 -1 87 275.675 2 ↓

Analogs

25254114
25254114

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Popular Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-hexyl-acetamide 2-[3-benzyl-7-(2-methoxyethyl)-2…

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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) 3.20 11.62 -19.03 1 9 0 100 441.532 12 ↓

Analogs

10099387
10099387

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Popular Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-(3-methoxypropyl)acetamide 2-[3-benzyl-7-(2-methoxyethyl)-2…

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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) 1.00 8.34 -20.52 1 10 0 109 429.477 11 ↓

Analogs

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Popular Name: 2-[[2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]acetyl]amino]-N-propyl-acetamide 2-[[2-[3-benzyl-7-(2-methoxyethy…

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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) 1.23 7.74 -21.23 2 11 0 129 456.503 11 ↓

Analogs

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Popular Name: 2-[[2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]acetyl]amino]-N-(2-methoxyethyl)acetamide 2-[[2-[3-benzyl-7-(2-methoxyethy…

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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) 0.34 6.06 -21.76 2 12 0 139 472.502 12 ↓

Analogs

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Popular Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-(2-diethylaminoethyl)acetamide 2-[3-benzyl-7-(2-methoxyethyl)-2…

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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) 1.53 11.36 -49.49 2 10 1 105 457.555 12 ↓
Hi High (pH 8-9.5) 1.53 9.15 -20.58 1 10 0 103 456.547 12 ↓

Analogs

15940771
15940771

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Popular Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] [(1S)-2-amino-1-methyl-2-oxo-ethyl]

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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) 0.99 9.65 -20.42 2 10 0 131 399.407 8 ↓

Analogs

15940769
15940769

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Popular Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] [(1R)-2-amino-1-methyl-2-oxo-ethyl]

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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) 0.99 9.61 -20.46 2 10 0 131 399.407 8 ↓

Analogs

7049096
7049096

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Popular Name: 3-benzyl-7-isopentyl-8-[[methyl(propyl)amino]methyl]purine-2,6-dione 3-benzyl-7-isopentyl-8-[[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) 3.08 12.03 -55.21 2 7 1 77 398.531 9 ↓
Hi High (pH 8-9.5) 3.54 9.36 -81.5 1 7 0 80 397.523 9 ↓
Hi High (pH 8-9.5) 3.54 7.08 -53.74 0 7 -1 79 396.515 9 ↓

Analogs

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Popular Name: 3-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)propanenitrile 3-(3-benzyl-7-isobutyl-2,6-dioxo…

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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) 2.24 12.32 -12.7 0 7 0 86 351.41 6 ↓

Parameters Provided:

ring.id = 13901
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 = 13901 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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