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

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(2S)-piperazin-2-yl]methanone [(4aR,7aR)-3,4a,5,6,7,7a-hexahyd…

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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 0.33 -49.76 3 5 1 58 240.327 1 ↓
Mid Mid (pH 6-8) -0.54 -1.03 -7.17 2 5 0 54 239.319 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(2S)-piperazin-2-yl]methanone [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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 0.13 -47.99 3 5 1 58 240.327 1 ↓
Mid Mid (pH 6-8) -0.54 -1.21 -6.78 2 5 0 54 239.319 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(2S)-piperazin-2-yl]methanone [(4aR,7aS)-3,4a,5,6,7,7a-hexahyd…

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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 0.02 -49.63 3 5 1 58 240.327 1 ↓
Mid Mid (pH 6-8) -0.54 -1.34 -7 2 5 0 54 239.319 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(2S)-piperazin-2-yl]methanone [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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 0.35 -49.26 3 5 1 58 240.327 1 ↓
Mid Mid (pH 6-8) -0.54 -0.99 -7.35 2 5 0 54 239.319 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(2S,5R)-5-methylpiperazin-2-yl [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 0.14 0.75 -40.05 3 5 1 58 254.354 1 ↓
Mid Mid (pH 6-8) 0.14 -0.4 -7.13 2 5 0 54 253.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(2S,5S)-5-methylpiperazin-2-yl [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 0.14 1.02 -46.89 3 5 1 58 254.354 1 ↓
Mid Mid (pH 6-8) 0.14 -0.26 -6.95 2 5 0 54 253.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(2R,5R)-5-methylpiperazin-2-yl [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 0.14 1 -46.97 3 5 1 58 254.354 1 ↓
Mid Mid (pH 6-8) 0.14 -0.27 -6.87 2 5 0 54 253.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[(2R,5S)-5-methylpiperazin-2-yl [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 0.14 0.82 -43.1 3 5 1 58 254.354 1 ↓
Mid Mid (pH 6-8) 0.14 -0.47 -6.64 2 5 0 54 253.346 1 ↓

Parameters Provided:

ring.id = 279215
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 = 279215 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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