UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(aminomethyl)phenyl]-N-cyclooctyl-methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-cycl…

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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) 3.12 3.68 -59.45 4 4 1 74 311.471 5 ↓
Hi High (pH 8-9.5) 3.12 3.3 -12.22 3 4 0 72 310.463 5 ↓

Analogs

21795489
21795489
37053827
37053827

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Popular Name: N-cyclooctyl-1-(m-tolyl)methanesulfonamide N-cyclooctyl-1-(m-tolyl)methanes…

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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) 4.41 6.19 -10.28 1 3 0 46 295.448 4 ↓

Analogs

25365967
25365967
25365971
25365971
25365975
25365975
25365979
25365979

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Popular Name: N-cyclooctyl-1-(4-fluorophenyl)methanesulfonamide N-cyclooctyl-1-(4-fluorophenyl)m…

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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) 4.15 5.59 -10.73 1 3 0 46 299.411 4 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)phenyl]-N-cyclooctyl-methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-cycl…

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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) 3.14 3.55 -50.49 4 4 1 74 311.471 5 ↓

Parameters Provided:

ring.id = 60589
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 = 60589 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=60589&filter.purchasability=annotated

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