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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: 1-[1-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]-N-methyl- 1-[1-[2-[(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) 0.91 2.64 -44.54 2 6 1 60 280.396 5 ↓
Hi High (pH 8-9.5) 0.91 1.18 -8.54 1 6 0 55 279.388 5 ↓
Mid Mid (pH 6-8) 0.91 4.84 -98.12 3 6 2 61 281.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]-N-methyl- 1-[1-[2-[(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) 0.91 2.57 -43.9 2 6 1 60 280.396 5 ↓
Hi High (pH 8-9.5) 0.91 1.12 -8.1 1 6 0 55 279.388 5 ↓
Mid Mid (pH 6-8) 0.91 4.75 -99.64 3 6 2 61 281.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]methyl]et N-[[1-[2-[(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) 1.29 3.5 -43.76 2 6 1 60 294.423 6 ↓
Hi High (pH 8-9.5) 1.29 2.12 -8.41 1 6 0 55 293.415 6 ↓
Mid Mid (pH 6-8) 1.29 5.7 -97.97 3 6 2 61 295.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]methyl]et N-[[1-[2-[(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) 1.29 3.43 -43.2 2 6 1 60 294.423 6 ↓
Hi High (pH 8-9.5) 1.29 2.05 -7.95 1 6 0 55 293.415 6 ↓
Mid Mid (pH 6-8) 1.29 5.61 -99.47 3 6 2 61 295.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]methanamine [1-[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) 0.54 0.77 -49.69 3 6 1 71 266.369 4 ↓
Hi High (pH 8-9.5) 0.54 0.36 -8.93 2 6 0 69 265.361 4 ↓
Mid Mid (pH 6-8) 0.54 2.97 -102.81 4 6 2 72 267.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]triazol-4-yl]methanamine [1-[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) 0.54 0.7 -49.09 3 6 1 71 266.369 4 ↓
Hi High (pH 8-9.5) 0.54 0.3 -8.45 2 6 0 69 265.361 4 ↓
Mid Mid (pH 6-8) 0.54 2.88 -104.31 4 6 2 72 267.377 4 ↓

Parameters Provided:

ring.id = 259718
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 = 259718 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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