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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: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-furylmethyl)ethanamine 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 2.02 4.3 -43.56 2 4 1 42 265.377 5 ↓
Hi High (pH 8-9.5) 2.02 2.92 -4.72 1 4 0 38 264.369 5 ↓
Lo Low (pH 4.5-6) 2.02 6.5 -122.35 3 4 2 43 266.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.02 4.22 -43.07 2 4 1 42 265.377 5 ↓
Hi High (pH 8-9.5) 2.02 2.86 -4.52 1 4 0 38 264.369 5 ↓
Lo Low (pH 4.5-6) 2.02 6.41 -123.76 3 4 2 43 266.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]-1-(2-furyl)ethanamin (1S)-N-[2-[(4aS,8aS)-2,3,4a,5,6,…

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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) 2.58 4.77 -40.8 2 4 1 42 279.404 5 ↓
Hi High (pH 8-9.5) 2.58 3.57 -4.23 1 4 0 38 278.396 5 ↓
Lo Low (pH 4.5-6) 2.58 6.99 -120.27 3 4 2 43 280.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]-1-(2-furyl)ethanamin (1R)-N-[2-[(4aS,8aS)-2,3,4a,5,6,…

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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) 2.58 4.78 -40.76 2 4 1 42 279.404 5 ↓
Hi High (pH 8-9.5) 2.58 3.6 -4.57 1 4 0 38 278.396 5 ↓
Lo Low (pH 4.5-6) 2.58 6.99 -120.25 3 4 2 43 280.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-furylmethyl)propan-1-ami (2S)-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) 2.35 5.29 -42.36 2 4 1 42 279.404 5 ↓
Hi High (pH 8-9.5) 2.35 3.91 -3.89 1 4 0 38 278.396 5 ↓
Lo Low (pH 4.5-6) 2.35 7.1 -120.89 3 4 2 43 280.412 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-furylmethyl)propan-1-ami (2R)-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) 2.35 5.28 -38.96 2 4 1 42 279.404 5 ↓
Hi High (pH 8-9.5) 2.35 4.66 -3.99 1 4 0 38 278.396 5 ↓
Lo Low (pH 4.5-6) 2.35 7.32 -113.49 3 4 2 43 280.412 5 ↓

Parameters Provided:

ring.id = 61767
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 = 61767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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