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

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine 3-(aminomethyl)-N-(cyclobutylmet…

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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) 2.71 8.24 -99.96 4 3 2 45 261.413 4 ↓
Hi High (pH 8-9.5) 2.71 7.84 -22.32 3 3 1 43 260.405 4 ↓
Hi High (pH 8-9.5) 2.71 7.82 -47.89 3 3 1 44 260.405 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxamidine 2-[cyclobutylmethyl(methyl)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) 1.84 7.86 -26.96 4 5 1 76 289.403 4 ↓
Mid Mid (pH 6-8) 1.84 7.45 -6.74 3 5 0 75 288.395 4 ↓
Lo Low (pH 4.5-6) 1.84 6.94 -86.99 5 5 2 78 290.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclobutylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamidine 2-[cyclobutylmethyl(methyl)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) 1.92 7.51 -34.16 4 4 1 68 273.404 4 ↓
Hi High (pH 8-9.5) 1.92 8.49 -5.91 3 4 0 66 272.396 4 ↓
Lo Low (pH 4.5-6) 1.92 7.97 -88.33 5 4 2 69 274.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclobutylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-[cyclobutylmethyl(methyl)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) 3.28 10.19 -5.15 0 3 0 40 255.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclobutylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide 2-[cyclobutylmethyl(methyl)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) 3.33 9.56 -32.23 3 3 1 43 290.456 4 ↓
Mid Mid (pH 6-8) 3.33 9.13 -10.25 2 3 0 42 289.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclobutylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic 2-[cyclobutylmethyl(methyl)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) 3.10 11.11 -36.39 1 4 0 58 274.364 4 ↓

Parameters Provided:

ring.id = 217197
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 = 217197 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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