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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-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1,1-dioxo-thian-3-yl]methana [(3S)-3-[(4aR,8aR)-2,3,4a,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) 0.24 -0.67 -55.05 3 5 1 74 303.448 2 ↓
Hi High (pH 8-9.5) 0.24 -1 -10.25 2 5 0 73 302.44 2 ↓
Lo Low (pH 4.5-6) 0.24 1.33 -140.73 4 5 2 75 304.456 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1,1-dioxo-thian-3-yl]methana [(3S)-3-[(4aR,8aS)-2,3,4a,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) 0.24 -0.44 -50.94 3 5 1 74 303.448 2 ↓
Hi High (pH 8-9.5) 0.24 -1.05 -11.23 2 5 0 73 302.44 2 ↓
Lo Low (pH 4.5-6) 0.24 1.44 -136.25 4 5 2 75 304.456 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1,1-dioxo-thian-3-yl]methana [(3S)-3-[(4aS,8aR)-2,3,4a,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) 0.24 -0.39 -55.12 3 5 1 74 303.448 2 ↓
Hi High (pH 8-9.5) 0.24 -0.77 -9.8 2 5 0 73 302.44 2 ↓
Lo Low (pH 4.5-6) 0.24 1.24 -140.27 4 5 2 75 304.456 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1,1-dioxo-thian-3-yl]methana [(3S)-3-[(4aS,8aS)-2,3,4a,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) 0.24 -0.27 -54.55 3 5 1 74 303.448 2 ↓
Hi High (pH 8-9.5) 0.24 -0.71 -9.48 2 5 0 73 302.44 2 ↓
Lo Low (pH 4.5-6) 0.24 1.43 -131.31 4 5 2 75 304.456 2 ↓

Parameters Provided:

ring.id = 287894
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 = 287894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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