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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-[5-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]-N-methyl- 1-[5-[[(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) 1.50 3.1 -43.81 2 5 1 55 266.365 4 ↓
Hi High (pH 8-9.5) 1.50 1.65 -5.75 1 5 0 51 265.357 4 ↓
Mid Mid (pH 6-8) 1.50 5.33 -98.21 3 5 2 56 267.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]-N-methyl- 1-[5-[[(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) 1.50 2.99 -44.2 2 5 1 55 266.365 4 ↓
Hi High (pH 8-9.5) 1.50 1.54 -6.01 1 5 0 51 265.357 4 ↓
Mid Mid (pH 6-8) 1.50 5.19 -99.58 3 5 2 56 267.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methyl]et N-[[5-[[(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) 1.87 3.96 -42.88 2 5 1 55 280.392 5 ↓
Hi High (pH 8-9.5) 1.87 2.58 -5.58 1 5 0 51 279.384 5 ↓
Mid Mid (pH 6-8) 1.87 6.19 -98.18 3 5 2 56 281.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methyl]et N-[[5-[[(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) 1.87 3.85 -43.29 2 5 1 55 280.392 5 ↓
Hi High (pH 8-9.5) 1.87 2.47 -5.8 1 5 0 51 279.384 5 ↓
Mid Mid (pH 6-8) 1.87 6.05 -99.55 3 5 2 56 281.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methyl]pr N-[[5-[[(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) 2.37 4.71 -43.76 2 5 1 55 294.419 6 ↓
Mid Mid (pH 6-8) 2.37 6.94 -99.71 3 5 2 56 295.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methyl]pr N-[[5-[[(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) 2.37 4.61 -44.08 2 5 1 55 294.419 6 ↓
Mid Mid (pH 6-8) 2.37 6.8 -101.08 3 5 2 56 295.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methyl]pr N-[[5-[[(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) 2.17 4.48 -41.55 2 5 1 55 294.419 5 ↓
Hi High (pH 8-9.5) 2.17 3.29 -5.41 1 5 0 51 293.411 5 ↓
Mid Mid (pH 6-8) 2.17 6.71 -96.66 3 5 2 56 295.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]isoxazol-3-yl]methyl]pr N-[[5-[[(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) 2.17 4.38 -41.87 2 5 1 55 294.419 5 ↓
Hi High (pH 8-9.5) 2.17 3.18 -5.66 1 5 0 51 293.411 5 ↓
Mid Mid (pH 6-8) 2.17 6.57 -98.01 3 5 2 56 295.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.12 1.23 -49.46 3 5 1 66 252.338 3 ↓
Hi High (pH 8-9.5) 1.12 0.83 -6.17 2 5 0 65 251.33 3 ↓
Mid Mid (pH 6-8) 1.12 3.46 -103.33 4 5 2 67 253.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.12 1.12 -49.77 3 5 1 66 252.338 3 ↓
Hi High (pH 8-9.5) 1.12 0.72 -6.46 2 5 0 65 251.33 3 ↓
Mid Mid (pH 6-8) 1.12 3.31 -104.64 4 5 2 67 253.346 3 ↓

Parameters Provided:

ring.id = 259715
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 = 259715 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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