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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49090349
49090349
49090350
49090350
49090351
49090351
49090352
49090352

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-2-amino-2-cyclopropyl-propanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide 2-[4-[(2R)-2-amino-2-cyclopropyl…

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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) -0.55 4.73 -98.76 4 6 2 73 298.431 4 ↓
Hi High (pH 8-9.5) -0.55 3.07 -47.85 3 6 1 71 297.423 4 ↓

Analogs

49090349
49090349
49090350
49090350
49090351
49090351
49090352
49090352

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2S)-2-amino-2-cyclopropyl-propanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide 2-[4-[(2S)-2-amino-2-cyclopropyl…

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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) -0.55 4.64 -93.16 4 6 2 73 298.431 4 ↓
Hi High (pH 8-9.5) -0.55 3.03 -43.99 3 6 1 71 297.423 4 ↓

Analogs

49090349
49090349
49090350
49090350
49090351
49090351
49090352
49090352

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-2-amino-2-cyclopropyl-propanoyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(2R)-2-amino-2-cyclopropyl…

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) -0.73 1.32 -98.86 6 6 2 95 270.377 4 ↓
Hi High (pH 8-9.5) -0.73 -0.34 -47.92 5 6 1 94 269.369 4 ↓

Analogs

49090349
49090349
49090350
49090350
49090351
49090351
49090352
49090352

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2S)-2-amino-2-cyclopropyl-propanoyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(2S)-2-amino-2-cyclopropyl…

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) -0.73 1.03 -93.07 6 6 2 95 270.377 4 ↓
Hi High (pH 8-9.5) -0.73 -0.63 -44.22 5 6 1 94 269.369 4 ↓

Analogs

48428898
48428898
48428899
48428899
48428900
48428900
48428901
48428901
37038376
37038376

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]propan-1-one (2R)-2-amino-2-cyclopropyl-1-[4-…

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) 0.52 4.29 -96.49 4 5 2 62 271.405 5 ↓
Hi High (pH 8-9.5) 0.52 4.48 -34.64 3 5 1 60 270.397 5 ↓

Analogs

48428898
48428898
48428899
48428899
48428900
48428900
48428901
48428901
37038376
37038376

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]propan-1-one (2S)-2-amino-2-cyclopropyl-1-[4-…

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) 0.52 4 -88.55 4 5 2 62 271.405 5 ↓
Hi High (pH 8-9.5) 0.52 3.73 -37.49 3 5 1 60 270.397 5 ↓

Parameters Provided:

ring.id = 578261
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 = 578261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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