UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21815792
21815792

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-cyclopropyl-N-ethyl-cyclododecanamine 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) 4.90 10.23 -97.55 4 2 2 32 282.516 4 ↓
Mid Mid (pH 6-8) 4.90 7.95 -30.25 3 2 1 31 281.508 4 ↓

Analogs

38971041
38971041
38971043
38971043
39134159
39134159
39134161
39134161
39706080
39706080

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-cyclopropyl-N1-ethyl-cyclododecane-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) 4.38 9.19 -112.84 4 2 2 32 268.489 3 ↓
Hi High (pH 8-9.5) 4.38 9.05 -28.49 3 2 1 30 267.481 3 ↓
Hi High (pH 8-9.5) 4.38 7.28 -42.4 3 2 1 31 267.481 3 ↓

Analogs

38971041
38971041
38971043
38971043
39134159
39134159
39134161
39134161
39706080
39706080

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-cyclopropyl-N1-ethyl-cyclododecane-1,2-diamine (1S,2S)-N1-cyclopropyl-N1-ethyl-…

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) 4.38 7.75 -108.69 4 2 2 32 268.489 3 ↓
Hi High (pH 8-9.5) 4.38 7.59 -27.83 3 2 1 30 267.481 3 ↓
Hi High (pH 8-9.5) 4.38 6.82 -41.8 3 2 1 31 267.481 3 ↓

Analogs

21815792
21815792

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-cyclopropyl-N-methyl-cyclododecanamine 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) 4.52 7.79 -113.85 4 2 2 32 268.489 3 ↓
Mid Mid (pH 6-8) 4.52 6.5 -39.62 3 2 1 31 267.481 3 ↓

Analogs

38971041
38971041
38971043
38971043
39134159
39134159
39134161
39134161
39706080
39706080

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-cyclopropyl-N1-methyl-cyclododecane-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) 4.00 8.8 -115.69 4 2 2 32 254.462 2 ↓
Hi High (pH 8-9.5) 4.00 8.69 -29.97 3 2 1 30 253.454 2 ↓
Hi High (pH 8-9.5) 4.00 6.56 -41.54 3 2 1 31 253.454 2 ↓

Analogs

38971041
38971041
38971043
38971043
39134159
39134159
39134161
39134161
39706080
39706080

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-cyclopropyl-N1-methyl-cyclododecane-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) 4.00 7.66 -108.56 4 2 2 32 254.462 2 ↓
Hi High (pH 8-9.5) 4.00 7.54 -27.95 3 2 1 30 253.454 2 ↓
Hi High (pH 8-9.5) 4.00 6.3 -41.59 3 2 1 31 253.454 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-cyclopropyl-N-propyl-cyclododecanamine 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) 5.40 8.13 -124.87 4 2 2 32 296.543 5 ↓
Mid Mid (pH 6-8) 5.40 7.73 -43.64 3 2 1 31 295.535 5 ↓

Analogs

38971041
38971041
38971043
38971043
39134159
39134159
39134161
39134161
39706080
39706080

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N1-cyclopropyl-N1-propyl-cyclododecane-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) 4.88 10.08 -116.47 4 2 2 32 282.516 4 ↓
Hi High (pH 8-9.5) 4.88 9.94 -29.09 3 2 1 30 281.508 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N1-cyclopropyl-N1-propyl-cyclododecane-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) 4.88 7.78 -109.67 4 2 2 32 282.516 4 ↓
Hi High (pH 8-9.5) 4.88 7.65 -32.23 3 2 1 30 281.508 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylamino)cyclododecanecarboxylic 1-(cyclopropylamino)cyclododecan…

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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) 2.74 9.01 -23.73 2 3 0 57 267.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(cyclopropylamino)cyclododecyl]methanol [1-(cyclopropylamino)cyclododecy…

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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) 4.84 6.66 -32.35 3 2 1 37 254.438 3 ↓

Parameters Provided:

ring.id = 137915
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 = 137915 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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