UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1621253
1621253
13472655
13472655

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Popular Name: 8-methyl-N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine 8-methyl-N-[(1S)-1-[(3R)-1-methy…

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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) 4.26 9.02 -43.55 2 3 1 29 284.427 3 ↓
Mid Mid (pH 6-8) 4.26 9.37 -76.34 3 3 2 31 285.435 3 ↓

Analogs

1621253
1621253
13472655
13472655

Draw Identity 99% 90% 80% 70%

Popular Name: 8-methyl-N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine 8-methyl-N-[(1R)-1-[(3R)-1-methy…

Find On: PubMed — Wikipedia — Google

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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) 4.26 9.2 -43.88 2 3 1 29 284.427 3 ↓
Mid Mid (pH 6-8) 4.26 9.55 -76.49 3 3 2 31 285.435 3 ↓

Analogs

1621253
1621253
13472655
13472655

Draw Identity 99% 90% 80% 70%

Popular Name: 8-methyl-N-[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine 8-methyl-N-[(1S)-1-[(3S)-1-methy…

Find On: PubMed — Wikipedia — Google

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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) 4.26 9.2 -43.88 2 3 1 29 284.427 3 ↓
Mid Mid (pH 6-8) 4.26 9.55 -76.5 3 3 2 31 285.435 3 ↓

Analogs

1621253
1621253
13472655
13472655

Draw Identity 99% 90% 80% 70%

Popular Name: 8-methyl-N-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine 8-methyl-N-[(1R)-1-[(3S)-1-methy…

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) 4.26 9.01 -43.46 2 3 1 29 284.427 3 ↓
Mid Mid (pH 6-8) 4.26 9.36 -76.45 3 3 2 31 285.435 3 ↓

Analogs

40776397
40776397
1591906
1591906
8581115
8581115

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Popular Name: 8-chloro-N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine 8-chloro-N-[(1S)-1-[(3R)-1-methy…

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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) 4.49 8.79 -46.27 2 3 1 29 304.845 3 ↓

Analogs

40776397
40776397
1591906
1591906
8581115
8581115

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine 8-chloro-N-[(1R)-1-[(3R)-1-methy…

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) 4.49 8.97 -46.62 2 3 1 29 304.845 3 ↓

Analogs

40776397
40776397
1591906
1591906
8581115
8581115

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-N-[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine 8-chloro-N-[(1S)-1-[(3S)-1-methy…

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) 4.49 8.98 -46.67 2 3 1 29 304.845 3 ↓

Analogs

40776397
40776397
1591906
1591906
8581115
8581115

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-N-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine 8-chloro-N-[(1R)-1-[(3S)-1-methy…

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) 4.49 8.77 -46.25 2 3 1 29 304.845 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3S)-1-ethyl-3-piperidyl]ethyl]quinolin-5-amine N-[(1R)-1-[(3S)-1-ethyl-3-piperi…

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) 4.23 8.82 -43.11 2 3 1 29 284.427 4 ↓
Mid Mid (pH 6-8) 4.23 9.25 -76.1 3 3 2 31 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3R)-1-ethyl-3-piperidyl]ethyl]quinolin-5-amine N-[(1R)-1-[(3R)-1-ethyl-3-piperi…

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) 4.23 9.02 -43.4 2 3 1 29 284.427 4 ↓
Mid Mid (pH 6-8) 4.23 9.45 -76.13 3 3 2 31 285.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine N-[(1S)-1-[(3R)-1-methyl-3-piper…

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) 3.86 8.19 -44.11 2 3 1 29 270.4 3 ↓
Mid Mid (pH 6-8) 3.86 8.61 -76.54 3 3 2 31 271.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine N-[(1R)-1-[(3R)-1-methyl-3-piper…

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) 3.86 8.37 -44.4 2 3 1 29 270.4 3 ↓
Mid Mid (pH 6-8) 3.86 8.79 -76.62 3 3 2 31 271.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine N-[(1S)-1-[(3S)-1-methyl-3-piper…

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) 3.86 8.37 -44.46 2 3 1 29 270.4 3 ↓
Mid Mid (pH 6-8) 3.86 8.8 -76.67 3 3 2 31 271.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]quinolin-5-amine N-[(1R)-1-[(3S)-1-methyl-3-piper…

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) 3.86 8.17 -44.09 2 3 1 29 270.4 3 ↓
Mid Mid (pH 6-8) 3.86 8.59 -76.6 3 3 2 31 271.408 3 ↓

Parameters Provided:

ring.id = 147641
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 = 147641 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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