UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38960056
38960056
38986345
38986345
39001867
39001867
21815792
21815792
19365717
19365717

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-cyclopropyl-N-ethyl-cyclooctanamine 1-(aminomethyl)-N-cyclopropyl-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) 2.88 6.3 -117.38 4 2 2 32 226.408 4 ↓
Mid Mid (pH 6-8) 2.88 4.98 -40.66 3 2 1 31 225.4 4 ↓

Analogs

43968057
43968057
43968059
43968059

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Popular Name: (1R,2S)-N1-cyclopropyl-N1-ethyl-cyclooctane-1,2-diamine (1R,2S)-N1-cyclopropyl-N1-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) 2.36 5.78 -110.65 4 2 2 32 212.381 3 ↓
Hi High (pH 8-9.5) 2.36 5.53 -28.21 3 2 1 30 211.373 3 ↓
Hi High (pH 8-9.5) 2.36 3.68 -37.91 3 2 1 31 211.373 3 ↓

Analogs

39134159
39134159
39134161
39134161
43968057
43968057
43968059
43968059
19636002
19636002

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-cyclopropyl-N1-ethyl-cyclooctane-1,2-diamine (1S,2S)-N1-cyclopropyl-N1-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) 2.36 6.45 -113.67 4 2 2 32 212.381 3 ↓
Hi High (pH 8-9.5) 2.36 6.15 -25.72 3 2 1 30 211.373 3 ↓
Hi High (pH 8-9.5) 2.36 4.74 -37.23 3 2 1 31 211.373 3 ↓

Analogs

38960056
38960056
38986345
38986345
39001867
39001867
21815792
21815792
19365717
19365717

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-cyclopropyl-N-methyl-cyclooctanamine 1-(aminomethyl)-N-cyclopropyl-N-…

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) 2.50 5.99 -114.57 4 2 2 32 212.381 3 ↓
Mid Mid (pH 6-8) 2.50 4.37 -39.98 3 2 1 31 211.373 3 ↓

Analogs

39134159
39134159
39134161
39134161
43968057
43968057
43968059
43968059
19636002
19636002

Draw Identity 99% 90% 80% 70%

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

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) 1.98 5.45 -111 4 2 2 32 198.354 2 ↓
Hi High (pH 8-9.5) 1.98 5.29 -29.09 3 2 1 30 197.346 2 ↓
Hi High (pH 8-9.5) 1.98 3.19 -39.31 3 2 1 31 197.346 2 ↓

Analogs

39134159
39134159
39134161
39134161
43968057
43968057
43968059
43968059
19636002
19636002

Draw Identity 99% 90% 80% 70%

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

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) 1.98 5.41 -110.58 4 2 2 32 198.354 2 ↓
Hi High (pH 8-9.5) 1.98 5.8 -27.16 3 2 1 30 197.346 2 ↓
Hi High (pH 8-9.5) 1.98 3.86 -36.45 3 2 1 31 197.346 2 ↓

Analogs

38960056
38960056
38986345
38986345
39001867
39001867
21815792
21815792
19365717
19365717

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-cyclopropyl-N-propyl-cyclooctanamine 1-(aminomethyl)-N-cyclopropyl-N-…

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) 3.38 7.04 -118.84 4 2 2 32 240.435 5 ↓
Mid Mid (pH 6-8) 3.38 5.59 -42.48 3 2 1 31 239.427 5 ↓

Analogs

39134159
39134159
39134161
39134161
43968057
43968057
43968059
43968059
19636002
19636002

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-cyclopropyl-N1-propyl-cyclooctane-1,2-diamine (1R,2S)-N1-cyclopropyl-N1-propyl…

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) 2.86 6.51 -112.17 4 2 2 32 226.408 4 ↓
Hi High (pH 8-9.5) 2.86 6.26 -28.36 3 2 1 30 225.4 4 ↓

Analogs

43968057
43968057
43968059
43968059

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-cyclopropyl-N1-propyl-cyclooctane-1,2-diamine (1S,2S)-N1-cyclopropyl-N1-propyl…

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) 2.86 7.21 -115.13 4 2 2 32 226.408 4 ↓
Hi High (pH 8-9.5) 2.86 6.9 -25.83 3 2 1 30 225.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylamino)cyclooctanecarboxylic 1-(cyclopropylamino)cyclooctanec…

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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) 0.72 6.63 -28.79 2 3 0 57 211.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(cyclopropylamino)cyclooctyl]methanol [1-(cyclopropylamino)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) 2.82 3.62 -30.6 3 2 1 37 198.33 3 ↓

Parameters Provided:

ring.id = 137910
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 = 137910 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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