Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_850fo743h9158dtnk4r5qukb74, 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

4427156
4427156
4510925
4510925

Draw Identity 99% 90% 80% 70%

Popular Name: acetyl-methyl-BLAHone acetyl-methyl-BLAHone

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) 1.35 4.42 -16.48 1 4 0 55 245.278 1 ↓

Analogs

4093942
4093942

Draw Identity 99% 90% 80% 70%

Popular Name: N-(tert-butyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxamide N-(tert-butyl)-9-methyl-11-oxo-8…

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) 2.10 -2.94 -16.87 2 5 0 67 302.374 2 ↓

Analogs

4093945
4093945

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-methyl-oxo-BLAHcarboxamide N-(2-methoxyphenyl)-methyl-oxo-B…

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) 2.62 -2.75 -17.78 2 6 0 77 352.39 3 ↓

Analogs

202177
202177
4819488
4819488

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-dimethyl-oxo-BLAHcarboxamide N,N-diethyl-dimethyl-oxo-BLAHcar…

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) 2.15 7.08 -8.52 0 5 0 50 316.401 3 ↓

Analogs

4029503
4029503
4029504
4029504

Draw Identity 99% 90% 80% 70%

Popular Name: allyl-methyl-(morpholine-4-carbonyl)BLAHone allyl-methyl-(morpholine-4-carbo…

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) 1.89 -1.05 -8.67 0 6 0 59 356.422 3 ↓

Analogs

4029503
4029503
4029504
4029504

Draw Identity 99% 90% 80% 70%

Popular Name: allyl-methyl-(morpholine-4-carbonyl)BLAHone allyl-methyl-(morpholine-4-carbo…

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) 1.89 -0.81 -18.95 0 6 0 59 356.422 3 ↓

Analogs

11536013
11536013
4427156
4427156
4510925
4510925

Draw Identity 99% 90% 80% 70%

Popular Name: acetyl-methyl-BLAHone acetyl-methyl-BLAHone

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) 1.35 4.43 -16.21 1 4 0 55 245.278 1 ↓

Analogs

11536013
11536013
4427156
4427156
4510925
4510925

Draw Identity 99% 90% 80% 70%

Popular Name: acetyl-methyl-BLAHone acetyl-methyl-BLAHone

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) 1.35 3.51 -7.55 1 4 0 55 245.278 1 ↓

Parameters Provided:

ring.id = 40615
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 = 40615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=40615&filter.purchasability=annotated

Embed Link to Results