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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: [1-[(1S,3R)-3-methoxycyclohexoxy]-3-isoquinolyl]methanol [1-[(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) 3.16 3.76 -7.45 1 4 0 52 287.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1S,3S)-3-methoxycyclohexoxy]-3-isoquinolyl]methanol [1-[(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) 3.16 3.86 -7.01 1 4 0 52 287.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1R,3R)-3-methoxycyclohexoxy]-3-isoquinolyl]methanol [1-[(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) 3.16 3.91 -8.4 1 4 0 52 287.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1R,3S)-3-methoxycyclohexoxy]-3-isoquinolyl]methanol [1-[(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) 3.16 3.76 -7.42 1 4 0 52 287.359 4 ↓

Analogs

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Popular Name: 3-(chloromethyl)-1-[(1S,3R)-3-methoxycyclohexoxy]isoquinoline 3-(chloromethyl)-1-[(1S,3R)-3-me…

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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) 4.40 7.5 -6.62 0 3 0 31 305.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-1-[(1S,3S)-3-methoxycyclohexoxy]isoquinoline 3-(chloromethyl)-1-[(1S,3S)-3-me…

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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) 4.40 7.6 -6.1 0 3 0 31 305.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-1-[(1R,3R)-3-methoxycyclohexoxy]isoquinoline 3-(chloromethyl)-1-[(1R,3R)-3-me…

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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) 4.40 7.65 -7.69 0 3 0 31 305.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-1-[(1R,3S)-3-methoxycyclohexoxy]isoquinoline 3-(chloromethyl)-1-[(1R,3S)-3-me…

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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) 4.40 7.5 -6.64 0 3 0 31 305.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1S,3R)-3-methoxycyclohexoxy]-3-isoquinolyl]methanamine [1-[(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) 3.01 4.26 -48.77 3 4 1 59 287.383 4 ↓
Hi High (pH 8-9.5) 3.01 3.86 -6.96 2 4 0 57 286.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1S,3S)-3-methoxycyclohexoxy]-3-isoquinolyl]methanamine [1-[(1S,3S)-3-methoxycyclohexoxy…

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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) 3.01 4.36 -47.12 3 4 1 59 287.383 4 ↓
Hi High (pH 8-9.5) 3.01 3.95 -6.54 2 4 0 57 286.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1R,3R)-3-methoxycyclohexoxy]-3-isoquinolyl]methanamine [1-[(1R,3R)-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) 3.01 4.42 -44.01 3 4 1 59 287.383 4 ↓
Hi High (pH 8-9.5) 3.01 4.01 -8.39 2 4 0 57 286.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1R,3S)-3-methoxycyclohexoxy]-3-isoquinolyl]methanamine [1-[(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) 3.01 4.26 -48.53 3 4 1 59 287.383 4 ↓
Hi High (pH 8-9.5) 3.01 3.86 -7.03 2 4 0 57 286.375 4 ↓

Parameters Provided:

ring.id = 538033
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 = 538033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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