Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ebti9ui8bf5rank7ns9t3q02v7, 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

1961229
1961229
1961230
1961230
1961239
1961239
1961243
1961243
1961244
1961244

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-2-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl N-(3,5-dichlorophenyl)-2-[(7S)-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) 4.55 -0.92 -20.12 1 5 0 63 422.337 3 ↓

Analogs

1961229
1961229
1961230
1961230
1961239
1961239
1961243
1961243
1961244
1961244

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-2-[(7R)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl N-(3,5-dichlorophenyl)-2-[(7R)-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) 4.55 -1.01 -19.54 1 5 0 63 422.337 3 ↓

Analogs

1961339
1961339
1961403
1961403
1961404
1961404
5319013
5319013
5319016
5319016

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidi N-(5-chloro-2-methyl-phenyl)-2-[…

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) 4.32 -0.33 -22.17 1 5 0 63 401.919 3 ↓

Analogs

1961339
1961339
1961403
1961403
1961404
1961404
5319013
5319013
5319016
5319016

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[(7R)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidi N-(5-chloro-2-methyl-phenyl)-2-[…

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) 4.32 -0.33 -22.2 1 5 0 63 401.919 3 ↓

Analogs

1961239
1961239
1961339
1961339
1961409
1961409
1961410
1961410
1961411
1961411

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]-N-(3-chloro-2-met 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.62 0.68 -19.13 1 5 0 63 444 4 ↓

Analogs

1961239
1961239
1961339
1961339
1961409
1961409
1961410
1961410
1961411
1961411

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]-N-(3-chloro-2-met 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.62 0.68 -19.21 1 5 0 63 444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]-N-(2,6-diisopropy 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.64 2.21 -18.42 1 5 0 63 479.69 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]-N-(2,6-diisopropy 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.64 2.3 -18.99 1 5 0 63 479.69 6 ↓

Analogs

6111189
6111189
8788834
8788834
8788836
8788836

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl] N-(4-bromophenyl)-2-[(7S)-7-tert…

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 -0.56 -19.86 1 5 0 63 474.424 4 ↓

Analogs

6111189
6111189
8788834
8788834
8788836
8788836

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl] N-(4-bromophenyl)-2-[(7R)-7-tert…

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 -0.56 -19.51 1 5 0 63 474.424 4 ↓

Analogs

1961237
1961237
1961238
1961238
1961407
1961407
1961413
1961413
8788897
8788897

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]-N-(2,5-dichloroph 2-[(7S)-7-tert-butyl-4-keto-5,6,…

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) 5.88 0.17 -18.35 1 5 0 63 464.418 4 ↓

Analogs

1961237
1961237
1961238
1961238
1961407
1961407
1961413
1961413
8788897
8788897

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl]-N-(2,5-dichloroph 2-[(7R)-7-tert-butyl-4-keto-5,6,…

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) 5.88 0.08 -17.94 1 5 0 63 464.418 4 ↓

Parameters Provided:

ring.id = 28591
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 = 28591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28591&filter.purchasability=annotated

Embed Link to Results