Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_p3r5i8bh955bhd1f99tfe10377, 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

4884614
4884614
4884656
4884656

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.03 -2.37 -18.6 1 9 0 116 417.443 6 ↓
Hi High (pH 8-9.5) 2.03 -1.79 -47.43 0 9 -1 118 416.435 6 ↓

Analogs

4884644
4884644

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(2-ethylphenyl)-1,3-dimethyl-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) 2.37 -2.83 -15.07 1 7 0 90 373.434 4 ↓
Hi High (pH 8-9.5) 2.37 -2.36 -43.49 0 7 -1 92 372.426 4 ↓

Analogs

4969827
4969827
4884614
4884614
4884625
4884625
4884644
4884644

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(2,5-dimethylphenyl)-1,3-dimet…

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) 2.33 -2.74 -15.15 1 7 0 90 373.434 3 ↓
Hi High (pH 8-9.5) 2.33 -2.27 -44.06 0 7 -1 92 372.426 3 ↓

Analogs

4884656
4884656

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.05 -2.74 -16.49 1 9 0 116 417.443 6 ↓
Hi High (pH 8-9.5) 2.05 -2.17 -41.87 0 9 -1 118 416.435 6 ↓

Analogs

34855121
34855121
4884616
4884616

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(2,5-dimethoxyphenyl)-1,3-dime…

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) 1.55 -3.47 -17.56 1 9 0 108 405.432 5 ↓
Hi High (pH 8-9.5) 1.55 -2.91 -50.48 0 9 -1 110 404.424 5 ↓

Analogs

4969862
4969862
4079720
4079720

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(3,4-dimethylphenyl)-1,3-dimet…

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) 2.33 -3.23 -14.17 1 7 0 90 373.434 3 ↓
Hi High (pH 8-9.5) 2.33 -2.65 -47.08 0 7 -1 92 372.426 3 ↓

Analogs

4079720
4079720
4884628
4884628

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(4-isopropylphenyl)-1,3-dimeth…

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) 3.02 -3.04 -13.81 1 7 0 90 387.461 4 ↓
Hi High (pH 8-9.5) 3.02 -2.47 -45.65 0 7 -1 92 386.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(3-ethylphenyl)-1,3-dimethyl-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) 2.40 -3.06 -14.91 1 7 0 90 373.434 4 ↓
Hi High (pH 8-9.5) 2.40 -2.48 -44.54 0 7 -1 92 372.426 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylphenyl)-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide N-(4-tert-butylphenyl)-N-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) 3.32 4.68 -14.04 2 7 0 103 387.461 4 ↓
Mid Mid (pH 6-8) 3.78 2.77 -38.86 1 7 -1 106 386.453 4 ↓

Analogs

4884644
4884644

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diisopropylphenyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonamide N-(2,6-diisopropylphenyl)-1,3-di…

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) 3.49 8.78 -13.53 1 7 0 90 429.542 5 ↓
Hi High (pH 8-9.5) 3.49 9.05 -43.15 0 7 -1 92 428.534 5 ↓

Analogs

4884647
4884647

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-2,4-dioxo-N-(2-propoxyphenyl)quinazoline-6-sulfonamide 1,3-dimethyl-2,4-dioxo-N-(2-prop…

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) 2.39 5.69 -15.57 1 8 0 99 403.46 6 ↓
Mid Mid (pH 6-8) 2.39 5.75 -51.21 0 8 -1 101 402.452 6 ↓

Parameters Provided:

ring.id = 4210
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 = 4210 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4210&filter.purchasability=annotated

Embed Link to Results