Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_lvi0o7u6eufh9531ci185kprs1, 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

19687856
19687856
11754377
11754377

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) 0.10 2.93 -37.45 2 4 1 40 224.328 2 ↓
Mid Mid (pH 6-8) 0.10 5.12 -91.58 3 4 2 41 225.336 2 ↓

Analogs

19687856
19687856
11754377
11754377

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) 0.10 2.9 -37.16 2 4 1 40 224.328 2 ↓
Mid Mid (pH 6-8) 0.10 5.09 -90.52 3 4 2 41 225.336 2 ↓

Analogs

35609614
35609614
35609613
35609613
20434445
20434445
20434446
20434446

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) -0.82 -0.69 -42.43 3 5 1 60 240.327 2 ↓
Mid Mid (pH 6-8) -0.82 1.66 -94.62 4 5 2 62 241.335 2 ↓

Analogs

35609614
35609614
35609613
35609613
20434445
20434445
20434446
20434446

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) -0.82 -0.64 -39.47 3 5 1 60 240.327 2 ↓
Mid Mid (pH 6-8) -0.82 1.72 -92.59 4 5 2 62 241.335 2 ↓

Analogs

35609614
35609614
35609613
35609613
20434445
20434445
20434446
20434446

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) -0.82 -0.39 -37.98 3 5 1 60 240.327 2 ↓
Mid Mid (pH 6-8) -0.82 1.77 -91.18 4 5 2 62 241.335 2 ↓

Analogs

35609614
35609614
35609613
35609613
20434445
20434445
20434446
20434446

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyclopropylpiperazin-1-yl)-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone (4-cyclopropylpiperazin-1-yl)-[(…

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) -0.82 -0.6 -41.82 3 5 1 60 240.327 2 ↓
Mid Mid (pH 6-8) -0.82 1.76 -95.91 4 5 2 62 241.335 2 ↓

Parameters Provided:

ring.id = 580233
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 = 580233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=580233&filter.purchasability=annotated

Embed Link to Results