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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: [2-[(1S,3R)-3-methoxycyclohexoxy]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine [2-[(1S,3R)-3-methoxycyclohexoxy…

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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) 2.76 4.52 -43.21 3 4 1 59 291.415 4 ↓
Hi High (pH 8-9.5) 2.76 4.12 -4.95 2 4 0 57 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(1S,3S)-3-methoxycyclohexoxy]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine [2-[(1S,3S)-3-methoxycyclohexoxy…

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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) 2.76 4.62 -46.31 3 4 1 59 291.415 4 ↓
Hi High (pH 8-9.5) 2.76 4.21 -4.47 2 4 0 57 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(1R,3R)-3-methoxycyclohexoxy]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine [2-[(1R,3R)-3-methoxycyclohexoxy…

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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) 2.76 4.68 -44.65 3 4 1 59 291.415 4 ↓
Hi High (pH 8-9.5) 2.76 4.27 -6.04 2 4 0 57 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(1R,3S)-3-methoxycyclohexoxy]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine [2-[(1R,3S)-3-methoxycyclohexoxy…

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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) 2.76 4.53 -42.92 3 4 1 59 291.415 4 ↓
Hi High (pH 8-9.5) 2.76 4.12 -4.93 2 4 0 57 290.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3R)-3-methoxycyclohexoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-[(1S,3R)-3-methoxycyclohexoxy]…

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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) 3.33 6.89 -7.93 0 4 0 55 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-methoxycyclohexoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-[(1S,3S)-3-methoxycyclohexoxy]…

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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) 3.33 6.98 -7.08 0 4 0 55 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-methoxycyclohexoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-[(1R,3R)-3-methoxycyclohexoxy]…

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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) 3.33 7.04 -7.43 0 4 0 55 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-methoxycyclohexoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-[(1R,3S)-3-methoxycyclohexoxy]…

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) 3.33 6.89 -7.91 0 4 0 55 286.375 3 ↓

Parameters Provided:

ring.id = 536467
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 = 536467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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