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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(2-chloro-3-quinolyl)methyl]-N-(cyclopropylmethyl)ethanamine N-[(2-chloro-3-quinolyl)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) 3.94 9.79 -37.02 1 2 1 17 275.803 5 ↓
Hi High (pH 8-9.5) 3.94 7.76 -6.52 0 2 0 16 274.795 5 ↓

Analogs

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Popular Name: N-[(2-chloro-7-methoxy-3-quinolyl)methyl]-N-(cyclopropylmethyl)ethanamine N-[(2-chloro-7-methoxy-3-quinoly…

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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) 3.97 9.1 -40.99 1 3 1 27 305.829 6 ↓
Hi High (pH 8-9.5) 3.97 7.06 -9.16 0 3 0 25 304.821 6 ↓

Analogs

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Popular Name: 3-[[cyclopropylmethyl(ethyl)amino]methyl]quinolin-2-amine 3-[[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) 2.75 8.37 -40.58 3 3 1 43 256.373 5 ↓
Hi High (pH 8-9.5) 2.75 6.22 -6.28 2 3 0 42 255.365 5 ↓
Lo Low (pH 4.5-6) 2.75 9.06 -93.46 4 3 2 45 257.381 5 ↓

Analogs

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Popular Name: 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-quinolin-2-amine 3-[[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) 3.12 9.88 -40.65 2 3 1 29 270.4 6 ↓
Mid Mid (pH 6-8) 3.12 10.22 -90.68 3 3 2 31 271.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[cyclopropylmethyl(ethyl)amino]methyl]-7-methoxy-quinolin-2-amine 3-[[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) 2.78 7.68 -44.35 3 4 1 53 286.399 6 ↓
Hi High (pH 8-9.5) 2.78 5.53 -8.82 2 4 0 51 285.391 6 ↓
Mid Mid (pH 6-8) 2.78 8.36 -96.24 4 4 2 54 287.407 6 ↓

Analogs

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Popular Name: 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethyl-quinolin-2-amine 3-[[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) 3.50 10.7 -40.16 2 3 1 29 284.427 7 ↓
Mid Mid (pH 6-8) 3.50 11.03 -90.27 3 3 2 31 285.435 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[(2-hydrazino-3-quinolyl)methyl]ethanamine N-(cyclopropylmethyl)-N-[(2-hydr…

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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) 2.50 8.49 -42.35 4 4 1 55 271.388 6 ↓
Hi High (pH 8-9.5) 2.50 6.29 -6.74 3 4 0 54 270.38 6 ↓
Lo Low (pH 4.5-6) 2.50 8.95 -92.51 5 4 2 57 272.396 6 ↓

Parameters Provided:

ring.id = 325208
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 = 325208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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