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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(4aS,8aR)-3,4,4a,5,6,7,…

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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) 0.91 1.21 -60.92 3 4 1 65 287.449 2 ↓
Mid Mid (pH 6-8) 0.91 0.52 -9.66 2 4 0 63 286.441 2 ↓
Mid Mid (pH 6-8) 0.91 3.42 -46.04 3 4 1 65 287.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(4aS,8aS)-3,4,4a,5,6,7,…

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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) 0.91 1.87 -64.64 3 4 1 65 287.449 2 ↓
Mid Mid (pH 6-8) 0.91 1.43 -9.07 2 4 0 63 286.441 2 ↓
Mid Mid (pH 6-8) 0.91 2.7 -40.35 3 4 1 65 287.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(4aR,8aR)-3,4,4a,5,6,7,…

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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) 0.91 1.75 -61.89 3 4 1 65 287.449 2 ↓
Mid Mid (pH 6-8) 0.91 1.34 -10.76 2 4 0 63 286.441 2 ↓
Mid Mid (pH 6-8) 0.91 3.2 -44.08 3 4 1 65 287.449 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(4aR,8aS)-3,4,4a,5,6,7,…

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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) 0.91 1.25 -61.51 3 4 1 65 287.449 2 ↓
Mid Mid (pH 6-8) 0.91 0.96 -9.22 2 4 0 63 286.441 2 ↓
Mid Mid (pH 6-8) 0.91 2.74 -41.43 3 4 1 65 287.449 2 ↓

Parameters Provided:

ring.id = 321086
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 = 321086 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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