UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-7H-purin-6-amine N-[(1S)-1-cyclohexylethyl]-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) 3.23 8.1 -8.54 2 5 0 66 245.33 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-7H-purin-6-amine N-[(1R)-1-cyclohexylethyl]-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) 3.23 7.88 -8.51 2 5 0 66 245.33 3 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclohexylpropyl]-7H-purin-6-amine N-[(1S)-1-cyclohexylpropyl]-7H-p…

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Activity (Go SEA)

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) 3.76 9 -8.02 2 5 0 66 259.357 4 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclohexylpropyl]-7H-purin-6-amine N-[(1R)-1-cyclohexylpropyl]-7H-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.76 8.9 -8.14 2 5 0 66 259.357 4 ↓

Analogs

42804854
42804854
42804859
42804859
42804864
42804864

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Popular Name: N-[(4-methylcyclohexyl)methyl]-7H-purin-6-amine N-[(4-methylcyclohexyl)methyl]-7…

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Activity (Go SEA)

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) 2.67 7.99 -8.62 2 5 0 66 245.33 3 ↓

Parameters Provided:

ring.id = 221652
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 = 221652 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=221652&filter.purchasability=annotated

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