Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8skb1oqhvlcorf500mcimab8k3, 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

20621897
20621897
13592861
13592861
13593252
13593252

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.33 6.26 -15.4 0 8 0 81 430.501 8 ↓
Mid Mid (pH 6-8) 2.33 8.52 -50.55 1 8 1 83 431.509 8 ↓
Mid Mid (pH 6-8) 2.33 9.1 -52.77 1 8 1 83 431.509 8 ↓

Analogs

20621897
20621897
13592861
13592861
13593252
13593252

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) 2.70 7.15 -15.19 0 8 0 81 444.528 9 ↓
Mid Mid (pH 6-8) 2.70 9.43 -50.32 1 8 1 83 445.536 9 ↓
Mid Mid (pH 6-8) 2.70 10.01 -52.59 1 8 1 83 445.536 9 ↓

Analogs

20621897
20621897
13592861
13592861
13593252
13593252

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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) 3.07 7.9 -15.17 0 8 0 81 458.555 9 ↓
Mid Mid (pH 6-8) 3.07 10.16 -50.15 1 8 1 83 459.563 9 ↓
Mid Mid (pH 6-8) 3.07 10.72 -52.29 1 8 1 83 459.563 9 ↓

Analogs

20621897
20621897
13592861
13592861
13593252
13593252

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

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) 3.21 7.96 -15.01 0 8 0 81 458.555 10 ↓
Mid Mid (pH 6-8) 3.21 10.82 -52.37 1 8 1 83 459.563 10 ↓
Mid Mid (pH 6-8) 3.21 10.22 -50.14 1 8 1 83 459.563 10 ↓

Analogs

20621897
20621897
13593252
13593252

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxyethyl 2-methoxyethyl

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) 2.12 6.41 -16.33 0 9 0 91 474.554 11 ↓
Mid Mid (pH 6-8) 2.12 8.68 -51.71 1 9 1 92 475.562 11 ↓
Mid Mid (pH 6-8) 2.12 9.25 -53.87 1 9 1 92 475.562 11 ↓

Analogs

13723254
13723254
13692199
13692199
13735135
13735135
12442462
12442462

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-9-(3-morpholinopropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-acetyl-9-(3-morpholinopropyl)-…

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) 1.60 3.67 -10.71 0 7 0 72 372.421 5 ↓
Mid Mid (pH 6-8) 1.60 5.98 -47.21 1 7 1 73 373.429 5 ↓
Lo Low (pH 4.5-6) 1.60 8.79 -122.81 2 7 2 75 374.437 5 ↓

Parameters Provided:

ring.id = 565189
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 = 565189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=565189&filter.purchasability=annotated

Embed Link to Results