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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-[[(1-p-anisyltetrazol-5-yl)methyl-phenethyl-amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one 7-[[(1-p-anisyltetrazol-5-yl)met…

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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) 3.10 9.03 -17.22 1 10 0 107 524.581 10 ↓

Analogs

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Popular Name: [(1R)-1-[1-(4-fluorobenzyl)tetrazol-5-yl]propyl]-[(6-keto-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl [(1R)-1-[1-(4-fluorobenzyl)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) 4.27 12.88 -62.69 2 9 1 99 541.607 10 ↓
Mid Mid (pH 6-8) 4.27 10.93 -20.82 1 9 0 98 540.599 10 ↓

Analogs

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Popular Name: [(1S)-1-[1-(4-fluorobenzyl)tetrazol-5-yl]propyl]-[(6-keto-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl [(1S)-1-[1-(4-fluorobenzyl)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) 4.27 12.78 -52.31 2 9 1 99 541.607 10 ↓
Mid Mid (pH 6-8) 4.27 10.82 -14.38 1 9 0 98 540.599 10 ↓

Analogs

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Popular Name: (6-keto-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl-[(1R)-1-(1-p-anisyltetrazol-5-yl)propyl]-phenethy (6-keto-5H-[1,3]dioxolo[4,5-g]qu…

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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) 4.16 12.09 -59.8 2 10 1 109 553.643 11 ↓
Mid Mid (pH 6-8) 4.16 10.16 -20.04 1 10 0 107 552.635 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-keto-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl-[(1S)-1-(1-p-anisyltetrazol-5-yl)propyl]-phenethy (6-keto-5H-[1,3]dioxolo[4,5-g]qu…

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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) 4.16 12.01 -49.83 2 10 1 109 553.643 11 ↓
Mid Mid (pH 6-8) 4.16 10.05 -15.06 1 10 0 107 552.635 11 ↓

Parameters Provided:

ring.id = 224120
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 = 224120 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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