UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-quinolin-4-amine 3-(aminomethyl)-N-(cyclopropylme…

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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) 2.69 7.87 -106.52 4 3 2 45 257.381 5 ↓
Hi High (pH 8-9.5) 2.69 7.7 -26.93 3 3 1 43 256.373 5 ↓

Analogs

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Popular Name: 6-bromo-N4-(cyclopropylmethyl)-N4-ethyl-quinoline-3,4-diamine 6-bromo-N4-(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) 3.94 8.78 -31.65 3 3 1 43 321.242 4 ↓
Hi High (pH 8-9.5) 3.94 8.35 -4.1 2 3 0 42 320.234 4 ↓

Analogs

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Popular Name: 4-[cyclopropylmethyl(ethyl)amino]-N'-hydroxy-quinoline-3-carboxamidine 4-[cyclopropylmethyl(ethyl)amino…

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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) 1.82 7.56 -31.54 4 5 1 76 285.371 5 ↓
Hi High (pH 8-9.5) 1.82 7.12 -6.11 3 5 0 75 284.363 5 ↓

Analogs

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Popular Name: 4-[cyclopropylmethyl(ethyl)amino]quinoline-3-carboxamidine 4-[cyclopropylmethyl(ethyl)amino…

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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) 1.89 7.01 -92.61 5 4 2 69 270.38 5 ↓
Hi High (pH 8-9.5) 1.89 8.14 -5.01 3 4 0 66 268.364 5 ↓
Mid Mid (pH 6-8) 1.89 6.58 -33.48 4 4 1 68 269.372 5 ↓

Analogs

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Popular Name: 4-[cyclopropylmethyl(ethyl)amino]quinoline-3-carbonitrile 4-[cyclopropylmethyl(ethyl)amino…

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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) 3.26 9.8 -6.05 0 3 0 40 251.333 4 ↓
Lo Low (pH 4.5-6) 3.26 10.22 -34.87 1 3 1 41 252.341 4 ↓

Analogs

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Popular Name: 4-[cyclopropylmethyl(ethyl)amino]quinoline-3-carbothioamide 4-[cyclopropylmethyl(ethyl)amino…

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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) 3.30 8.6 -37.56 3 3 1 43 286.424 5 ↓
Hi High (pH 8-9.5) 3.30 8.18 -7.99 2 3 0 42 285.416 5 ↓

Analogs

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Popular Name: 4-[cyclopropylmethyl(ethyl)amino]quinoline-2-carboxylic 4-[cyclopropylmethyl(ethyl)amino…

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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) 3.55 10.29 -27.08 1 4 0 58 270.332 5 ↓

Analogs

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Popular Name: 4-[cyclopropylmethyl(ethyl)amino]quinoline-3-carboxylic 4-[cyclopropylmethyl(ethyl)amino…

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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) 3.08 10.52 -36.56 1 4 0 58 270.332 5 ↓

Analogs

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Popular Name: [4-[cyclopropylmethyl(ethyl)amino]-2-quinolyl]methanol [4-[cyclopropylmethyl(ethyl)amin…

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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) 3.32 7.16 -25.85 2 3 1 38 257.357 5 ↓

Analogs

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Popular Name: 2-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-quinolin-4-amine 2-(chloromethyl)-N-(cyclopropylm…

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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) 4.55 10.91 -25.76 1 2 1 17 275.803 5 ↓
Hi High (pH 8-9.5) 4.55 10.53 -5.06 0 2 0 16 274.795 5 ↓

Analogs

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Popular Name: 2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-quinolin-4-amine 2-(aminomethyl)-N-(cyclopropylme…

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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) 3.16 7.27 -23.84 3 3 1 43 256.373 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-2-(methylaminomethyl)quinolin-4-amine N-(cyclopropylmethyl)-N-ethyl-2-…

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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) 3.54 8.11 -22.83 2 3 1 29 270.4 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)quinolin-4-amine N-(cyclopropylmethyl)-N-ethyl-2-…

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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) 3.91 10.29 -103.82 3 3 2 34 285.435 7 ↓
Mid Mid (pH 6-8) 3.91 8.93 -22.71 2 3 1 29 284.427 7 ↓

Parameters Provided:

ring.id = 324742
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 = 324742 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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