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

Analogs

26942218
26942218
26942237
26942237

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-N-cyclopropyl-6-[6-[(3S)-3-(hydroxymethyl)-1-piperidyl]purin-9-yl]-2,2-dimethyl-3a,4 (3aS,4S,6R,6aR)-N-cyclopropyl-6-…

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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) 0.94 6.76 -13.96 2 11 0 124 458.519 5 ↓

Analogs

26942218
26942218
26942237
26942237

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-N-cyclopropyl-6-[6-[(3R)-3-(hydroxymethyl)-1-piperidyl]purin-9-yl]-2,2-dimethyl-3a,4 (3aS,4S,6R,6aR)-N-cyclopropyl-6-…

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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) 0.94 6.8 -13.79 2 11 0 124 458.519 5 ↓

Analogs

48998301
48998301
48998302
48998302
26942218
26942218
26942237
26942237

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 1.81 11.06 -12.77 1 12 0 130 500.556 7 ↓

Analogs

48998301
48998301
48998302
48998302
26942218
26942218
26942237
26942237

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 1.81 11.06 -14.05 1 12 0 130 500.556 7 ↓

Analogs

26942218
26942218
26942237
26942237

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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) 1.81 11.1 -14.16 1 12 0 130 500.556 7 ↓

Analogs

48998301
48998301
48998302
48998302
26942237
26942237
26942218
26942218

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-N-cyclopropyl-6-[6-(4-hydroxy-1-piperidyl)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahy (3aS,4S,6R,6aR)-N-cyclopropyl-6-…

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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) -0.17 6.16 -13.83 2 11 0 124 444.492 4 ↓

Analogs

49031342
49031342
49031345
49031345
49031348
49031348
49031350
49031350
26942237
26942237

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-N-cyclopropyl-6-[6-[(3S)-3-hydroxy-1-piperidyl]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-te (3aS,4S,6R,6aR)-N-cyclopropyl-6-…

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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) 0.56 6.12 -13.88 2 11 0 124 444.492 4 ↓

Analogs

49031342
49031342
49031345
49031345
49031348
49031348
49031350
49031350
26942237
26942237

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-N-cyclopropyl-6-[6-[(3R)-3-hydroxy-1-piperidyl]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-te (3aS,4S,6R,6aR)-N-cyclopropyl-6-…

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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) 0.56 6.13 -13.87 2 11 0 124 444.492 4 ↓

Analogs

48998048
48998048
48998049
48998049
48999991
48999991
48999993
48999993
26942218
26942218

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,6S,6aS)-N-cyclopropyl-2,2-dimethyl-4-[6-(4-methyl-1-piperidyl)purin-9-yl]-3a,4,6,6a-tetrahyd (3aR,4R,6S,6aS)-N-cyclopropyl-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) 1.95 10.14 -10.74 1 10 0 104 442.52 4 ↓

Parameters Provided:

ring.id = 603133
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 = 603133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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