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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: N-cyclohexyl-2-[(1,1-dioxothian-4-yl)amino]acetamide N-cyclohexyl-2-[(1,1-dioxothian-…

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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) 1.40 1.92 -62.1 3 5 1 80 289.421 4 ↓
Hi High (pH 8-9.5) 1.40 0.71 -17.81 2 5 0 75 288.413 4 ↓

Analogs

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Popular Name: (2S)-N-cyclohexyl-2-[(1,1-dioxothian-4-yl)amino]propanamide (2S)-N-cyclohexyl-2-[(1,1-dioxot…

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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 2.47 -57.41 3 5 1 80 303.448 4 ↓
Hi High (pH 8-9.5) 1.23 1.41 -13.99 2 5 0 75 302.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[(1,1-dioxothian-4-yl)amino]propanamide (2R)-N-cyclohexyl-2-[(1,1-dioxot…

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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 2.43 -57.41 3 5 1 80 303.448 4 ↓
Hi High (pH 8-9.5) 1.23 1.43 -18.38 2 5 0 75 302.44 4 ↓

Parameters Provided:

ring.id = 89558
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 = 89558 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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