UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 2.06 8.21 -14.62 1 9 0 98 472.549 7 ↓

Analogs

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

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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) 2.22 8.28 -15.59 1 9 0 98 490.539 7 ↓

Analogs

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

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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) 2.12 7.87 -16.01 1 10 0 107 502.575 8 ↓

Analogs

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

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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) 2.07 8.01 -15.33 1 10 0 107 502.575 8 ↓

Analogs

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

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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) 2.51 9.25 -14.34 1 9 0 98 486.576 7 ↓

Analogs

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

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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) 3.57 10.29 -12.67 1 9 0 98 514.63 8 ↓

Analogs

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

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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) 3.57 10.4 -12.57 1 9 0 98 514.63 8 ↓

Parameters Provided:

ring.id = 223547
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 = 223547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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