UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38960056
38960056
39001867
39001867
32445552
32445552

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Popular Name: 1-(aminomethyl)-N-cyclopentyl-N-methyl-cyclooctanamine 1-(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) 3.53 6.58 -115.11 4 2 2 32 240.435 3 ↓
Hi High (pH 8-9.5) 3.53 3.2 -46.3 3 2 1 31 239.427 3 ↓

Analogs

39134159
39134159
39134161
39134161
19635875
19635875

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Popular Name: (1R,2S)-N1-cyclopentyl-N1-methyl-cyclooctane-1,2-diamine (1R,2S)-N1-cyclopentyl-N1-methyl…

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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) 3.02 6.41 -114.63 4 2 2 32 226.408 2 ↓

Analogs

35765959
35765959
35765961
35765961

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Popular Name: (1S,2S)-N1-cyclopentyl-N1-methyl-cyclooctane-1,2-diamine (1S,2S)-N1-cyclopentyl-N1-methyl…

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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) 3.02 6.93 -119.43 4 2 2 32 226.408 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(cyclooctylamino)cyclopentanecarbonitrile (1S,2R)-2-(cyclooctylamino)cyclo…

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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) 4.06 7.77 -37.96 2 2 1 40 221.368 2 ↓
Hi High (pH 8-9.5) 4.06 6.78 -5.04 1 2 0 36 220.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(cyclooctylamino)cyclopentanecarbonitrile (1S,2S)-2-(cyclooctylamino)cyclo…

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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) 4.06 7.58 -45.98 2 2 1 40 221.368 2 ↓
Hi High (pH 8-9.5) 4.06 6.44 -5.39 1 2 0 36 220.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(cyclooctylamino)cyclopentanecarbonitrile (1R,2R)-2-(cyclooctylamino)cyclo…

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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) 4.06 7.63 -47.92 2 2 1 40 221.368 2 ↓
Hi High (pH 8-9.5) 4.06 6.61 -4.28 1 2 0 36 220.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(cyclooctylamino)cyclopentanecarbonitrile (1R,2S)-2-(cyclooctylamino)cyclo…

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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) 4.06 7.72 -39.14 2 2 1 40 221.368 2 ↓
Hi High (pH 8-9.5) 4.06 6.81 -5.3 1 2 0 36 220.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(cyclooctylamino)cyclopentanol (1S,2R)-2-(cyclooctylamino)cyclo…

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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) 3.26 4.52 -31.1 3 2 1 37 212.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(cyclooctylamino)cyclopentanol (1S,2S)-2-(cyclooctylamino)cyclo…

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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) 3.26 4.05 -36.04 3 2 1 37 212.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(cyclooctylamino)cyclopentanol (1R,2R)-2-(cyclooctylamino)cyclo…

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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) 3.26 4.06 -35.89 3 2 1 37 212.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(cyclooctylamino)cyclopentanol (1R,2S)-2-(cyclooctylamino)cyclo…

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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) 3.26 4.39 -31.62 3 2 1 37 212.357 2 ↓

Analogs

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Popular Name: [1-(cyclopentylamino)cyclooctyl]methanol [1-(cyclopentylamino)cyclooctyl]…

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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 4.95 -31.51 3 2 1 37 226.384 3 ↓

Parameters Provided:

ring.id = 139779
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 = 139779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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