UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40809914
40809914
40809915
40809915
40809916
40809916
40809917
40809917

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Popular Name: N-[(1S)-1-cyclohexylethyl]-6-oxo-1H-pyridine-3-sulfonamide N-[(1S)-1-cyclohexylethyl]-6-oxo…

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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) 2.22 1.99 -13.01 2 5 0 79 284.381 4 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-6-oxo-1H-pyridine-3-sulfonamide N-[(1R)-1-cyclohexylethyl]-6-oxo…

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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) 2.22 1.95 -13.09 2 5 0 79 284.381 4 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclohexylpropyl]-6-oxo-1H-pyridine-3-sulfonamide N-[(1S)-1-cyclohexylpropyl]-6-ox…

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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) 2.75 2.86 -12.86 2 5 0 79 298.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylpropyl]-6-oxo-1H-pyridine-3-sulfonamide N-[(1R)-1-cyclohexylpropyl]-6-ox…

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) 2.75 3.03 -12.99 2 5 0 79 298.408 5 ↓

Analogs

36828926
36828926
36828928
36828928
36828737
36828737
36828736
36828736
36829217
36829217

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Popular Name: N-(cyclohexylmethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide N-(cyclohexylmethyl)-N-methyl-6-…

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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) 2.13 3.38 -13.46 1 5 0 70 284.381 4 ↓

Parameters Provided:

ring.id = 222232
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 = 222232 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=222232&filter.purchasability=annotated

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