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

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Popular Name: 8-[[benzyl-[(1-benzyltetrazol-5-yl)methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7 8-[[benzyl-[(1-benzyltetrazol-5-…

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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) 2.25 9.99 -13.62 1 9 0 98 494.555 8 ↓

Analogs

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Popular Name: 8-[[(1-benzyltetrazol-5-yl)methyl-(4-fluorobenzyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]qu 8-[[(1-benzyltetrazol-5-yl)methy…

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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) 2.42 10.06 -13.84 1 9 0 98 512.545 8 ↓

Analogs

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Popular Name: 8-[[(1-benzyltetrazol-5-yl)methyl-p-anisyl-amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin- 8-[[(1-benzyltetrazol-5-yl)methy…

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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) 2.31 8.38 -17.36 1 10 0 107 524.581 9 ↓

Analogs

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Popular Name: 8-[[o-anisyl-[(1-p-anisyltetrazol-5-yl)methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinol 8-[[o-anisyl-[(1-p-anisyltetrazo…

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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) 2.32 8.55 -15.5 1 11 0 117 554.607 10 ↓

Analogs

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Popular Name: 8-[[(1-benzyltetrazol-5-yl)methyl-(4-methylbenzyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]qu 8-[[(1-benzyltetrazol-5-yl)methy…

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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) 2.70 9.75 -15.65 1 9 0 98 508.582 8 ↓

Analogs

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Popular Name: 8-[[[1-(4-fluorobenzyl)tetrazol-5-yl]methyl-(4-methylbenzyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxin 8-[[[1-(4-fluorobenzyl)tetrazol-…

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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) 2.87 9.81 -15.95 1 9 0 98 526.572 8 ↓

Analogs

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Popular Name: 8-[[(4-methylbenzyl)-[(1-p-anisyltetrazol-5-yl)methyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3- 8-[[(4-methylbenzyl)-[(1-p-anisy…

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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 9.05 -16.57 1 10 0 107 538.608 9 ↓
Lo Low (pH 4.5-6) 2.76 11.39 -47.2 2 10 1 109 539.616 9 ↓

Analogs

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Popular Name: 8-[[(4-fluorobenzyl)-[[1-(4-fluorobenzyl)tetrazol-5-yl]methyl]amino]methyl]-3,6-dihydro-2H-[1,4]diox 8-[[(4-fluorobenzyl)-[[1-(4-fluo…

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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) 2.58 10.12 -14.4 1 9 0 98 530.535 8 ↓
Lo Low (pH 4.5-6) 2.58 11.62 -54.7 2 9 1 99 531.543 8 ↓

Analogs

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Popular Name: 8-[[[1-(4-fluorobenzyl)tetrazol-5-yl]methyl-p-anisyl-amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g 8-[[[1-(4-fluorobenzyl)tetrazol-…

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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) 2.48 8.45 -17.76 1 10 0 107 542.571 9 ↓
Lo Low (pH 4.5-6) 2.48 10.78 -51.22 2 10 1 109 543.579 9 ↓

Analogs

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Popular Name: 8-[[[1-(4-fluorobenzyl)tetrazol-5-yl]methyl-o-anisyl-amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g 8-[[[1-(4-fluorobenzyl)tetrazol-…

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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) 2.43 9.71 -17.99 1 10 0 107 542.571 9 ↓

Analogs

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Popular Name: 8-[[[(1S)-1-(1-benzyltetrazol-5-yl)propyl]-(4-methylbenzyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino 8-[[[(1S)-1-(1-benzyltetrazol-5-…

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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) 3.77 11.09 -12.91 1 9 0 98 536.636 9 ↓
Mid Mid (pH 6-8) 3.77 12.88 -37.55 2 9 1 99 537.644 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[[(1R)-1-(1-benzyltetrazol-5-yl)propyl]-(4-methylbenzyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino 8-[[[(1R)-1-(1-benzyltetrazol-5-…

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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) 3.77 11.23 -14.77 1 9 0 98 536.636 9 ↓
Mid Mid (pH 6-8) 3.77 12.85 -45.79 2 9 1 99 537.644 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[benzyl-[(1S)-1-[1-(4-fluorobenzyl)tetrazol-5-yl]propyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino 8-[[benzyl-[(1S)-1-[1-(4-fluorob…

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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) 3.48 10.86 -19.29 1 9 0 98 540.599 9 ↓
Mid Mid (pH 6-8) 3.48 12.58 -62.35 2 9 1 99 541.607 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[benzyl-[(1R)-1-[1-(4-fluorobenzyl)tetrazol-5-yl]propyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino 8-[[benzyl-[(1R)-1-[1-(4-fluorob…

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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) 3.48 10.62 -15.7 1 9 0 98 540.599 9 ↓
Mid Mid (pH 6-8) 3.48 12.25 -49.75 2 9 1 99 541.607 9 ↓

Parameters Provided:

ring.id = 223596
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 = 223596 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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