Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_3q7hk0h9fmgl8408auipfdp486, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11841453
11841453

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[(4-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-[(4-ethoxyphenyl)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) 4.07 0.87 -41.4 2 5 1 52 395.523 7 ↓

Analogs

11841450
11841450

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[(4-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-[(4-ethoxyphenyl)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) 4.07 0.82 -45.42 2 5 1 52 395.523 7 ↓

Analogs

11974180
11974180

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3-chloro-4-methoxy-phenyl)-6-[(2-hydroxy-5-methoxy-phenyl)methyl]-6-azaspiro[2.5]octane-1-ca (1S)-N-(3-chloro-4-methoxy-pheny…

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) 4.26 -1.29 -48.15 3 6 1 72 431.94 6 ↓

Analogs

11974172
11974172

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-chloro-4-methoxy-phenyl)-6-[(2-hydroxy-5-methoxy-phenyl)methyl]-6-azaspiro[2.5]octane-1-ca (1R)-N-(3-chloro-4-methoxy-pheny…

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) 4.26 -1.12 -43.72 3 6 1 72 431.94 6 ↓

Analogs

11978510
11978510

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-chloro-4-methoxy-phenyl)-6-[(2,3-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octane-1-carboxami (1R)-N-(3-chloro-4-methoxy-pheny…

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) 4.11 1.13 -47.28 2 6 1 61 445.967 7 ↓

Analogs

11978504
11978504

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3-chloro-4-methoxy-phenyl)-6-[(2,3-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octane-1-carboxami (1S)-N-(3-chloro-4-methoxy-pheny…

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) 4.11 1.03 -44.79 2 6 1 61 445.967 7 ↓

Analogs

11979158
11979158

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[(2-hydroxy-5-methoxy-phenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-[(2-hydroxy-5-methoxy-phe…

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) 3.61 -1.07 -41.27 3 6 1 72 397.495 6 ↓

Analogs

11979149
11979149

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[(2-hydroxy-5-methoxy-phenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-[(2-hydroxy-5-methoxy-phe…

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) 3.61 -1.01 -41.64 3 6 1 72 397.495 6 ↓

Analogs

11995822
11995822

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,5-dimethylphenyl)-6-[(2-hydroxy-5-methoxy-phenyl)methyl]-6-azaspiro[2.5]octane-2-carboxami (2S)-N-(3,5-dimethylphenyl)-6-[(…

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) 4.43 -0.48 -41.36 3 5 1 63 395.523 5 ↓

Analogs

11995821
11995821

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,5-dimethylphenyl)-6-[(2-hydroxy-5-methoxy-phenyl)methyl]-6-azaspiro[2.5]octane-2-carboxami (2R)-N-(3,5-dimethylphenyl)-6-[(…

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) 4.43 -0.52 -47 3 5 1 63 395.523 5 ↓

Analogs

11996192
11996192

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-6-[(2-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (2R)-N-(3-chloro-4-methoxy-pheny…

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) 4.23 -1.32 -40.07 3 5 1 63 401.914 5 ↓

Analogs

11996191
11996191

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-6-[(2-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (2S)-N-(3-chloro-4-methoxy-pheny…

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) 4.23 -1.39 -43.62 3 5 1 63 401.914 5 ↓

Analogs

11996241
11996241

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-[(2,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (2S)-6-[(2,5-dimethoxyphenyl)met…

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) 4.50 1.39 -38.22 2 5 1 52 409.55 6 ↓

Analogs

11996240
11996240

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-[(2,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (2R)-6-[(2,5-dimethoxyphenyl)met…

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) 4.50 1.33 -46.38 2 5 1 52 409.55 6 ↓

Analogs

12022241
12022241

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3-chloro-4-methoxy-phenyl)-6-[(3-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-N-(3-chloro-4-methoxy-pheny…

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) 4.33 0.62 -42.09 2 5 1 52 415.941 6 ↓

Analogs

12022236
12022236

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-chloro-4-methoxy-phenyl)-6-[(3-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-1-carboxamide (1R)-N-(3-chloro-4-methoxy-pheny…

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) 4.33 0.54 -41.93 2 5 1 52 415.941 6 ↓

Analogs

12023207
12023207

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxy-phenyl)-6-azaspiro[2.5]octane-1-carboxamide (1R)-6-[(4-acetamidophenyl)methy…

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) 3.51 -0.6 -50.64 3 6 1 72 442.967 6 ↓

Analogs

12023202
12023202

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxy-phenyl)-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-[(4-acetamidophenyl)methy…

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) 3.51 -0.48 -47.55 3 6 1 72 442.967 6 ↓

Analogs

12028316
12028316

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-chloro-4-methoxy-phenyl)-6-[(2-hydroxy-3-methoxy-phenyl)methyl]-6-azaspiro[2.5]octane-1-ca (1R)-N-(3-chloro-4-methoxy-pheny…

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) 3.84 -0.93 -48.2 3 6 1 72 431.94 6 ↓

Analogs

12028313
12028313

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3-chloro-4-methoxy-phenyl)-6-[(2-hydroxy-3-methoxy-phenyl)methyl]-6-azaspiro[2.5]octane-1-ca (1S)-N-(3-chloro-4-methoxy-pheny…

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) 3.84 -1.1 -48.41 3 6 1 72 431.94 6 ↓

Analogs

12039468
12039468

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-car (2R)-N-(3-chloro-4-methoxy-pheny…

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) 5.14 2.78 -39.37 2 4 1 43 453.912 6 ↓

Analogs

12039464
12039464

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-car (2S)-N-(3-chloro-4-methoxy-pheny…

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) 5.14 2.71 -41.91 2 4 1 43 453.912 6 ↓

Analogs

12210543
12210543

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,5-dimethylphenyl)-6-[(4-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (2S)-N-(3,5-dimethylphenyl)-6-[(…

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) 4.51 1.25 -44.18 2 4 1 43 379.524 5 ↓

Analogs

12210537
12210537

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,5-dimethylphenyl)-6-[(4-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (2R)-N-(3,5-dimethylphenyl)-6-[(…

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) 4.51 1.2 -53.84 2 4 1 43 379.524 5 ↓

Parameters Provided:

ring.id = 59368
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 = 59368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=59368&filter.purchasability=annotated

Embed Link to Results