UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37809547
37809547
37814648
37814648
37824861
37824861
44624781
44624781
44625304
44625304

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 0.98 3.52 -10.7 2 4 0 53 260.337 4 ↓

Analogs

37807042
37807042
37810332
37810332
37814648
37814648
42779152
42779152

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Popular Name: N-cyclopropyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide N-cyclopropyl-N-ethyl-1,2,3,4-te…

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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) 1.99 6.71 -9.34 1 3 0 32 244.338 3 ↓

Analogs

37807042
37807042
37810332
37810332
37814648
37814648
41475713
41475713
41475716
41475716

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Popular Name: N-cyclopropyl-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide N-cyclopropyl-N-methyl-1,2,3,4-t…

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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) 1.61 5.83 -10.06 1 3 0 32 230.311 2 ↓

Analogs

37807042
37807042
37809933
37809933
37809934
37809934
37810332
37810332
37814648
37814648

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-propyl-1,2,3,4-tetrahydroquinoline-6-carboxamide N-cyclopropyl-N-propyl-1,2,3,4-t…

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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) 2.49 7.45 -8.86 1 3 0 32 258.365 4 ↓

Analogs

36136817
36136817
36200073
36200073
37097374
37097374
37080059
37080059
36136051
36136051

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Popular Name: N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide N-cyclopropyl-N-(2-methoxyethyl)…

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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) 1.60 5.95 -10.05 1 4 0 42 274.364 5 ↓

Parameters Provided:

ring.id = 65971
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 = 65971 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=65971&filter.purchasability=annotated

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