UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

145932
145932

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Popular Name: N-(dicyclopropylmethyl)-8-methyl-quinolin-5-amine N-(dicyclopropylmethyl)-8-methyl…

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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) 4.85 9.64 -5.65 1 2 0 25 252.361 4 ↓
Mid Mid (pH 6-8) 4.85 9.98 -28.09 2 2 1 26 253.369 4 ↓

Analogs

8581115
8581115
1591906
1591906

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Popular Name: 8-chloro-N-(dicyclopropylmethyl)quinolin-5-amine 8-chloro-N-(dicyclopropylmethyl)…

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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) 5.08 9.41 -6.85 1 2 0 25 272.779 4 ↓

Analogs

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Popular Name: N5-(dicyclopropylmethyl)quinoline-5,8-diamine N5-(dicyclopropylmethyl)quinolin…

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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) 3.88 6.9 -5.2 3 3 0 51 253.349 4 ↓

Analogs

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Popular Name: N-(dicyclopropylmethyl)-8-nitro-quinolin-5-amine N-(dicyclopropylmethyl)-8-nitro-…

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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) 4.36 9.92 -14.42 1 5 0 71 283.331 5 ↓

Parameters Provided:

ring.id = 147739
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 = 147739 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=147739&filter.purchasability=annotated

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