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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: (1R,4'R)-spiro[indane-1,2'-tetrahydropyran]-4'-ol (1R,4'R)-spiro[indane-1,2'-tetra…

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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) 1.97 4.09 -5.1 1 2 0 29 204.269 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4'R)-spiro[indane-1,2'-tetrahydropyran]-4'-ol (1S,4'R)-spiro[indane-1,2'-tetra…

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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) 1.97 3.69 -6.21 1 2 0 29 204.269 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4'S)-spiro[indane-1,2'-tetrahydropyran]-4'-ol (1R,4'S)-spiro[indane-1,2'-tetra…

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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) 1.97 3.65 -6.21 1 2 0 29 204.269 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4'S)-spiro[indane-1,2'-tetrahydropyran]-4'-ol (1S,4'S)-spiro[indane-1,2'-tetra…

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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) 1.97 3.43 -5.28 1 2 0 29 204.269 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4'R)-spiro[indane-1,2'-tetrahydropyran]-4'-amine (1R,4'R)-spiro[indane-1,2'-tetra…

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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) 1.48 3.99 -47.43 3 2 1 37 204.293 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4'R)-spiro[indane-1,2'-tetrahydropyran]-4'-amine (1S,4'R)-spiro[indane-1,2'-tetra…

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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) 1.48 4.27 -47.69 3 2 1 37 204.293 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4'S)-spiro[indane-1,2'-tetrahydropyran]-4'-amine (1R,4'S)-spiro[indane-1,2'-tetra…

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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) 1.48 4.23 -47.61 3 2 1 37 204.293 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4'S)-spiro[indane-1,2'-tetrahydropyran]-4'-amine (1S,4'S)-spiro[indane-1,2'-tetra…

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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) 1.48 4 -45.36 3 2 1 37 204.293 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4'R)-N-methylspiro[indane-1,2'-tetrahydropyran]-4'-amine (1R,4'R)-N-methylspiro[indane-1,…

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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) 2.39 5.69 -40.12 2 2 1 26 218.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4'S)-N-methylspiro[indane-1,2'-tetrahydropyran]-4'-amine (1R,4'S)-N-methylspiro[indane-1,…

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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) 2.39 5.97 -42.24 2 2 1 26 218.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4'R)-N-methylspiro[indane-1,2'-tetrahydropyran]-4'-amine (1S,4'R)-N-methylspiro[indane-1,…

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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) 2.39 5.94 -42.24 2 2 1 26 218.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4'S)-N-methylspiro[indane-1,2'-tetrahydropyran]-4'-amine (1S,4'S)-N-methylspiro[indane-1,…

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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) 2.39 5.69 -41.89 2 2 1 26 218.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4'R)-4'-chlorospiro[indane-1,2'-tetrahydropyran] (1R,4'R)-4'-chlorospiro[indane-1…

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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) 3.21 7.25 -3.77 0 1 0 9 222.715 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4'R)-4'-chlorospiro[indane-1,2'-tetrahydropyran] (1S,4'R)-4'-chlorospiro[indane-1…

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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) 3.21 7.57 -4.25 0 1 0 9 222.715 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4'S)-4'-chlorospiro[indane-1,2'-tetrahydropyran] (1R,4'S)-4'-chlorospiro[indane-1…

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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) 3.21 7.53 -4.28 0 1 0 9 222.715 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4'S)-4'-chlorospiro[indane-1,2'-tetrahydropyran] (1S,4'S)-4'-chlorospiro[indane-1…

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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) 3.21 7.31 -3.5 0 1 0 9 222.715 0 ↓

Parameters Provided:

ring.id = 480672
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 = 480672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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