UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6274532
6274532
1683265
1683265

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Popular Name: 8-methyl-N-[(1S)-1-(1-methylcyclopropyl)ethyl]quinolin-5-amine 8-methyl-N-[(1S)-1-(1-methylcycl…

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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) 4.28 8.24 -6.02 1 2 0 25 240.35 3 ↓
Mid Mid (pH 6-8) 4.28 8.59 -28.23 2 2 1 26 241.358 3 ↓

Analogs

6274532
6274532
1683265
1683265

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Popular Name: 8-methyl-N-[(1R)-1-(1-methylcyclopropyl)ethyl]quinolin-5-amine 8-methyl-N-[(1R)-1-(1-methylcycl…

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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) 4.28 8.24 -6.02 1 2 0 25 240.35 3 ↓
Mid Mid (pH 6-8) 4.28 8.59 -28.21 2 2 1 26 241.358 3 ↓

Analogs

6274532
6274532
1683265
1683265

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Popular Name: N-[(1S)-1-cyclopropylethyl]-8-methyl-quinolin-5-amine N-[(1S)-1-cyclopropylethyl]-8-me…

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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) 4.32 7.46 -5.99 1 2 0 25 226.323 3 ↓
Mid Mid (pH 6-8) 4.32 7.81 -27.89 2 2 1 26 227.331 3 ↓

Analogs

6274532
6274532
1683265
1683265

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-8-methyl-quinolin-5-amine N-[(1R)-1-cyclopropylethyl]-8-me…

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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) 4.32 7.59 -6.13 1 2 0 25 226.323 3 ↓
Mid Mid (pH 6-8) 4.32 7.93 -28.02 2 2 1 26 227.331 3 ↓

Analogs

45229393
45229393
31091790
31091790
31096731
31096731
31096729
31096729
24472114
24472114

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Popular Name: N-(cyclopropylmethyl)-8-methyl-quinolin-5-amine N-(cyclopropylmethyl)-8-methyl-q…

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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 6.98 -6.29 1 2 0 25 212.296 3 ↓
Mid Mid (pH 6-8) 3.33 7.33 -28.23 2 2 1 26 213.304 3 ↓

Analogs

1591906
1591906
8581115
8581115

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Popular Name: 8-chloro-N-[(1S)-1-(1-methylcyclopropyl)ethyl]quinolin-5-amine 8-chloro-N-[(1S)-1-(1-methylcycl…

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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) 4.51 8.02 -7.1 1 2 0 25 260.768 3 ↓

Analogs

1591906
1591906
8581115
8581115

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-N-[(1R)-1-(1-methylcyclopropyl)ethyl]quinolin-5-amine 8-chloro-N-[(1R)-1-(1-methylcycl…

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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) 4.51 8.01 -7.11 1 2 0 25 260.768 3 ↓

Analogs

1591906
1591906
8581115
8581115

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Popular Name: 8-chloro-N-[(1S)-1-cyclopropylethyl]quinolin-5-amine 8-chloro-N-[(1S)-1-cyclopropylet…

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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 7.24 -7.18 1 2 0 25 246.741 3 ↓

Analogs

1591906
1591906
8581115
8581115

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-N-[(1R)-1-cyclopropylethyl]quinolin-5-amine 8-chloro-N-[(1R)-1-cyclopropylet…

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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 7.36 -7.29 1 2 0 25 246.741 3 ↓

Analogs

41474733
41474733
20002138
20002138
1778811
1778811

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Popular Name: 8-chloro-N-(cyclopropylmethyl)quinolin-5-amine 8-chloro-N-(cyclopropylmethyl)qu…

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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) 3.56 6.75 -7.5 1 2 0 25 232.714 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-(cyclopropylmethyl)-N5-ethyl-quinoline-5,8-diamine N5-(cyclopropylmethyl)-N5-ethyl-…

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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) 2.98 7.44 -4.44 2 3 0 42 241.338 4 ↓
Mid Mid (pH 6-8) 2.98 7.02 -32.01 3 3 1 43 242.346 4 ↓

Parameters Provided:

ring.id = 147703
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 = 147703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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