UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19229929
19229929

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Popular Name: 2-[cyclopentyl(methyl)amino]quinoline-3-carbaldehyde 2-[cyclopentyl(methyl)amino]quin…

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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 9.06 -6.96 0 3 0 33 254.333 3 ↓

Analogs

11987008
11987008
11986971
11986971
11987024
11987024

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Popular Name: 2-[cyclopentyl(methyl)amino]quinoline-3-carboxylic 2-[cyclopentyl(methyl)amino]quin…

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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) 3.29 10.43 -35.29 1 4 0 58 270.332 3 ↓
Mid Mid (pH 6-8) 3.29 9.9 -50.23 0 4 -1 56 269.324 3 ↓

Analogs

34847944
34847944
35772959
35772959

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Popular Name: [2-[cyclopentyl(methyl)amino]-3-quinolyl]methanol [2-[cyclopentyl(methyl)amino]-3-…

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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) 3.05 6.66 -7.41 1 3 0 36 256.349 3 ↓
Mid Mid (pH 6-8) 3.05 7.13 -22.61 2 3 1 38 257.357 3 ↓

Analogs

11987158
11987158
35772996
35772996

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Popular Name: 3-(chloromethyl)-N-cyclopentyl-N-methyl-quinolin-2-amine 3-(chloromethyl)-N-cyclopentyl-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) 4.29 10.58 -6.19 0 2 0 16 274.795 3 ↓
Mid Mid (pH 6-8) 4.29 11.06 -24.03 1 2 1 17 275.803 3 ↓

Analogs

48285641
48285641
19850562
19850562
12218667
12218667

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Popular Name: 3-(aminomethyl)-N-cyclopentyl-N-methyl-quinolin-2-amine 3-(aminomethyl)-N-cyclopentyl-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) 2.90 7.15 -51.1 3 3 1 44 256.373 3 ↓
Hi High (pH 8-9.5) 2.90 7.08 -6.55 2 3 0 42 255.365 3 ↓
Mid Mid (pH 6-8) 2.90 7.7 -100.33 4 3 2 45 257.381 3 ↓

Analogs

260647
260647

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Popular Name: 2-[cyclopentyl(methyl)amino]quinoline-4-carboxylic 2-[cyclopentyl(methyl)amino]quin…

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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) 3.59 9.99 -37.7 1 4 0 58 270.332 3 ↓
Mid Mid (pH 6-8) 3.59 9.73 -48.5 0 4 -1 56 269.324 3 ↓

Analogs

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Popular Name: 2-[cyclopentyl(ethyl)amino]quinoline-3-carboxamidine 2-[cyclopentyl(ethyl)amino]quino…

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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) 2.48 7.75 -38.26 4 4 1 68 283.399 4 ↓
Hi High (pH 8-9.5) 2.48 8.67 -7.23 3 4 0 66 282.391 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]quinoline-3-carboxamidine 2-[cyclopentyl(methyl)amino]quin…

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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) 2.10 7.01 -37.5 4 4 1 68 269.372 3 ↓
Hi High (pH 8-9.5) 2.10 8.06 -7.74 3 4 0 66 268.364 3 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-N'-hydroxy-quinoline-3-carboxamidine 2-[cyclopentyl(methyl)amino]-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) 2.03 7.06 -8.31 3 5 0 75 284.363 3 ↓
Lo Low (pH 4.5-6) 2.03 7.56 -26.14 4 5 1 76 285.371 3 ↓

Analogs

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Popular Name: 2-[cyclopentyl(ethyl)amino]quinoline-3-carbonitrile 2-[cyclopentyl(ethyl)amino]quino…

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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) 3.85 10.34 -6.15 0 3 0 40 265.36 3 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]quinoline-3-carbonitrile 2-[cyclopentyl(methyl)amino]quin…

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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) 3.47 9.63 -6.7 0 3 0 40 251.333 2 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)quinoline-3-carbonitrile 2-(cyclopentylamino)quinoline-3-…

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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) 3.22 8.22 -5.95 1 3 0 49 237.306 2 ↓

Analogs

37995954
37995954

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Popular Name: N-cyclopentyl-N-(2-quinolyl)propane-1,3-diamine N-cyclopentyl-N-(2-quinolyl)prop…

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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) 2.86 8.73 -50.47 3 3 1 44 270.4 5 ↓
Mid Mid (pH 6-8) 2.86 8.41 -92.08 4 3 2 45 271.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopentylamino)quinoline-4-carboxylic 2-(cyclopentylamino)quinoline-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) 3.34 8.31 -40.2 2 4 0 66 256.305 3 ↓
Mid Mid (pH 6-8) 3.34 7.87 -48.32 1 4 -1 65 255.297 3 ↓

Analogs

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Popular Name: 2-[(6-amino-2-quinolyl)-cyclopentyl-amino]acetamide 2-[(6-amino-2-quinolyl)-cyclopen…

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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) 1.57 4.8 -14.19 4 5 0 85 284.363 4 ↓
Mid Mid (pH 6-8) 1.57 4.49 -28.45 5 5 1 86 285.371 4 ↓

Parameters Provided:

ring.id = 144738
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 = 144738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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