UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20217827
20217827
20217828
20217828
35738383
35738383
35738384
35738384
36134754
36134754

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[(4R)-thiazolidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide N,N-dimethyl-2-[4-[(4R)-thiazoli…

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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) -1.12 3.82 -47.7 2 6 1 57 301.436 3 ↓
Hi High (pH 8-9.5) -1.12 2.07 -16.31 1 6 0 56 300.428 3 ↓
Mid Mid (pH 6-8) -1.12 4.99 -100.41 3 6 2 62 302.444 3 ↓

Analogs

20217827
20217827
20217828
20217828
35738383
35738383
35738384
35738384
36134754
36134754

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[(4S)-thiazolidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide N,N-dimethyl-2-[4-[(4S)-thiazoli…

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) -1.12 3.7 -44.99 2 6 1 57 301.436 3 ↓
Hi High (pH 8-9.5) -1.12 1.94 -12.97 1 6 0 56 300.428 3 ↓
Mid Mid (pH 6-8) -1.12 4.92 -100.89 3 6 2 62 302.444 3 ↓

Analogs

20217827
20217827
20217828
20217828
35738383
35738383
35738384
35738384
36134754
36134754

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4R)-thiazolidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(4R)-thiazolidine-4-carbon…

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) -1.30 0.44 -44.41 4 6 1 80 273.382 3 ↓
Hi High (pH 8-9.5) -1.30 -1.18 -13.31 3 6 0 79 272.374 3 ↓
Mid Mid (pH 6-8) -1.30 1.56 -96.37 5 6 2 84 274.39 3 ↓

Analogs

20217827
20217827
20217828
20217828
35738383
35738383
35738384
35738384
36134754
36134754

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(4S)-thiazolidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(4S)-thiazolidine-4-carbon…

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) -1.30 0.29 -42.59 4 6 1 80 273.382 3 ↓
Hi High (pH 8-9.5) -1.30 -1.32 -10.82 3 6 0 79 272.374 3 ↓
Mid Mid (pH 6-8) -1.30 1.51 -98.47 5 6 2 84 274.39 3 ↓

Analogs

20217827
20217827
20217828
20217828
35738383
35738383
35738384
35738384

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-[(4R)-thiazolidin-4-yl]methanone [4-(2-methoxyethyl)-1,4-diazepan…

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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) -0.04 3.46 -40.83 2 5 1 46 274.41 4 ↓
Mid Mid (pH 6-8) -0.04 4.56 -92.41 3 5 2 51 275.418 4 ↓

Analogs

20217827
20217827
20217828
20217828
35738383
35738383
35738384
35738384

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methoxyethyl)-1,4-diazepan-1-yl]-[(4S)-thiazolidin-4-yl]methanone [4-(2-methoxyethyl)-1,4-diazepan…

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) -0.04 3.32 -38.37 2 5 1 46 274.41 4 ↓
Mid Mid (pH 6-8) -0.04 4.53 -93.6 3 5 2 51 275.418 4 ↓

Parameters Provided:

ring.id = 306623
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 = 306623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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