UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22151126
22151126
22151130
22151130
22151132
22151132
22151136
22151136

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinolin-8-amine N-[(1R,5S)-3,3,5-trimethylcycloh…

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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) 4.98 9.48 -4.43 1 2 0 25 268.404 2 ↓
Mid Mid (pH 6-8) 4.98 9.96 -32.21 2 2 1 26 269.412 2 ↓

Analogs

22151126
22151126
22151130
22151130
22151132
22151132
22151136
22151136

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,5R)-3,3,5-trimethylcyclohexyl]quinolin-8-amine N-[(1R,5R)-3,3,5-trimethylcycloh…

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Activity (Go SEA)

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) 4.98 8.76 -4.61 1 2 0 25 268.404 2 ↓
Mid Mid (pH 6-8) 4.98 9.23 -31.88 2 2 1 26 269.412 2 ↓

Analogs

22151126
22151126
22151130
22151130
22151132
22151132
22151136
22151136

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,5S)-3,3,5-trimethylcyclohexyl]quinolin-8-amine N-[(1S,5S)-3,3,5-trimethylcycloh…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.98 8.76 -4.62 1 2 0 25 268.404 2 ↓
Mid Mid (pH 6-8) 4.98 9.23 -31.87 2 2 1 26 269.412 2 ↓

Analogs

22151126
22151126
22151130
22151130
22151132
22151132
22151136
22151136

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,5R)-3,3,5-trimethylcyclohexyl]quinolin-8-amine N-[(1S,5R)-3,3,5-trimethylcycloh…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.98 9.48 -4.42 1 2 0 25 268.404 2 ↓
Mid Mid (pH 6-8) 4.98 9.96 -32.23 2 2 1 26 269.412 2 ↓

Analogs

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Popular Name: N-(4-tert-butylcyclohexyl)quinolin-8-amine N-(4-tert-butylcyclohexyl)quinol…

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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) 5.42 9.34 -4.65 1 2 0 25 282.431 3 ↓
Mid Mid (pH 6-8) 5.42 9.81 -31.78 2 2 1 26 283.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N8-methyl-N8-(4-methylcyclohexyl)quinoline-5,8-diamine N8-methyl-N8-(4-methylcyclohexyl…

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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) 3.41 7.68 -27.3 3 3 1 43 270.4 2 ↓
Mid Mid (pH 6-8) 3.41 8.12 -5.45 2 3 0 42 269.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methoxycyclohexyl]quinolin-8-amine N-[(1S,2R)-2-methoxycyclohexyl]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) 3.79 6.62 -6.89 1 3 0 34 256.349 3 ↓
Mid Mid (pH 6-8) 3.79 7.11 -27.83 2 3 1 35 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methoxycyclohexyl]quinolin-8-amine N-[(1S,2S)-2-methoxycyclohexyl]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) 3.79 6.32 -6.44 1 3 0 34 256.349 3 ↓
Mid Mid (pH 6-8) 3.79 6.81 -29.23 2 3 1 35 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methoxycyclohexyl]quinolin-8-amine N-[(1R,2R)-2-methoxycyclohexyl]q…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.79 6.32 -6.45 1 3 0 34 256.349 3 ↓
Mid Mid (pH 6-8) 3.79 6.81 -29.24 2 3 1 35 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methoxycyclohexyl]quinolin-8-amine N-[(1R,2S)-2-methoxycyclohexyl]q…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.79 6.62 -6.87 1 3 0 34 256.349 3 ↓
Mid Mid (pH 6-8) 3.79 7.11 -27.87 2 3 1 35 257.357 3 ↓

Parameters Provided:

ring.id = 58145
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 = 58145 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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