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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: N-[[(1S,3S,5S)-5-isopropyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3S,5S)-5-isopropyl-6-oxa…

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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) 2.64 7.2 -38.69 2 2 1 26 224.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3S,5R)-5-isopropyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3S,5R)-5-isopropyl-6-oxa…

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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) 2.64 7.32 -37.22 2 2 1 26 224.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3R,5S)-5-isopropyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3R,5S)-5-isopropyl-6-oxa…

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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) 2.64 7.27 -38.06 2 2 1 26 224.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3R,5R)-5-isopropyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3R,5R)-5-isopropyl-6-oxa…

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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) 2.64 7.27 -38.7 2 2 1 26 224.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3S,5R)-5-methyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3S,5R)-5-methyl-6-oxaspi…

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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) 1.90 5.84 -38.63 2 2 1 26 196.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3S,5S)-5-methyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3S,5S)-5-methyl-6-oxaspi…

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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) 1.90 5.9 -37.6 2 2 1 26 196.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3R,5R)-5-methyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3R,5R)-5-methyl-6-oxaspi…

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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) 1.90 5.9 -37.73 2 2 1 26 196.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3R,5S)-5-methyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3R,5S)-5-methyl-6-oxaspi…

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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) 1.90 5.84 -38.84 2 2 1 26 196.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3S)-5,5-dimethyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3S)-5,5-dimethyl-6-oxasp…

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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) 2.34 6.25 -37.86 2 2 1 26 210.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,3R)-5,5-dimethyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1S,3R)-5,5-dimethyl-6-oxasp…

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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) 2.34 6.25 -38.08 2 2 1 26 210.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,3S)-5,5-dimethyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1R,3S)-5,5-dimethyl-6-oxasp…

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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) 2.34 6.25 -38.08 2 2 1 26 210.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,3R)-5,5-dimethyl-6-oxaspiro[2.5]octan-1-yl]methyl]cyclopropanamine N-[[(1R,3R)-5,5-dimethyl-6-oxasp…

Find On: PubMed — Wikipedia — Google

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) 2.34 6.25 -37.85 2 2 1 26 210.341 3 ↓

Parameters Provided:

ring.id = 493534
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 = 493534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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