UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 0.37 4.89 -14.23 1 8 0 85 254.294 4 ↓

Analogs

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Popular Name: 1-methyl-N-(1-methyltetrazol-5-yl)piperidin-4-amine 1-methyl-N-(1-methyltetrazol-5-y…

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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) -0.08 5.12 -45.92 2 6 1 60 197.266 2 ↓

Analogs

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Popular Name: 2-[4-[(1-methyltetrazol-5-yl)amino]-1-piperidyl]acetamide 2-[4-[(1-methyltetrazol-5-yl)ami…

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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) -1.35 2.01 -48.71 4 8 1 103 240.291 4 ↓
Mid Mid (pH 6-8) -1.35 -0.19 -13.99 3 8 0 102 239.283 4 ↓

Analogs

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Popular Name: 1-ethyl-N-(1-methyltetrazol-5-yl)piperidin-4-amine 1-ethyl-N-(1-methyltetrazol-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) 0.29 5.78 -44.57 2 6 1 60 211.293 3 ↓

Analogs

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Popular Name: N-(1-methyltetrazol-5-yl)-1-propyl-piperidin-4-amine N-(1-methyltetrazol-5-yl)-1-prop…

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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) 0.80 6.53 -45.46 2 6 1 60 225.32 4 ↓

Parameters Provided:

ring.id = 312252
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 = 312252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=312252&filter.purchasability=annotated

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