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

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]cyclopropan N-[[2-[(4aS,8aS)-2,3,4a,5,6,7,8,…

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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) 2.49 7.56 -37.89 2 4 1 42 294.444 4 ↓
Hi High (pH 8-9.5) 2.49 6.26 -4.61 1 4 0 37 293.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]thiazol-5-yl]methyl]cyclopropan N-[[2-[(4aS,8aR)-2,3,4a,5,6,7,8,…

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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) 2.49 7.24 -38.16 2 4 1 42 294.444 4 ↓
Hi High (pH 8-9.5) 2.49 5.94 -5.03 1 4 0 37 293.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl]methyl]c N-[[2-[(4aS,8aS)-2,3,4a,5,6,7,8,…

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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) 2.71 8.03 -37.88 2 4 1 42 308.471 4 ↓
Hi High (pH 8-9.5) 2.71 6.74 -4.9 1 4 0 37 307.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4-methyl-thiazol-5-yl]methyl]c N-[[2-[(4aS,8aR)-2,3,4a,5,6,7,8,…

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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) 2.71 7.74 -38.33 2 4 1 42 308.471 4 ↓
Hi High (pH 8-9.5) 2.71 6.45 -5.32 1 4 0 37 307.463 4 ↓

Parameters Provided:

ring.id = 367153
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 = 367153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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