UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-N-(cyclopropylmethyl)-N-ethyl-quinoline-2-carboxamide 4-chloro-N-(cyclopropylmethyl)-N…

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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) 3.99 10.08 -7.6 0 3 0 33 288.778 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-4-(methylamino)quinoline-2-carboxamide N-(cyclopropylmethyl)-N-ethyl-4-…

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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) 3.17 8.56 -9.55 1 4 0 45 283.375 5 ↓
Lo Low (pH 4.5-6) 3.17 8.37 -26.19 2 4 1 46 284.383 5 ↓

Analogs

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Popular Name: 4-amino-N-(cyclopropylmethyl)-N-ethyl-quinoline-2-carboxamide 4-amino-N-(cyclopropylmethyl)-N-…

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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) 2.80 7.63 -9.45 2 4 0 59 269.348 4 ↓
Lo Low (pH 4.5-6) 2.80 7.44 -27.48 3 4 1 60 270.356 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-4-hydrazino-quinoline-2-carboxamide N-(cyclopropylmethyl)-N-ethyl-4-…

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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) 2.56 7.38 -10.38 3 5 0 71 284.363 5 ↓
Lo Low (pH 4.5-6) 2.56 7.19 -27.35 4 5 1 72 285.371 5 ↓

Analogs

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Popular Name: N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoline-2-carboxamide N-[[1-(hydroxymethyl)cyclopropyl…

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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) 1.02 2.82 -10.28 2 4 0 62 256.305 4 ↓

Parameters Provided:

ring.id = 325191
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 = 325191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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