Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_48g5ju136djuqm72sp1l41s9c0, 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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-3-(2-methyl-2-morpholino-propyl)urea 1-cyclopropyl-3-(2-methyl-2-morp…

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) 0.80 0.55 -7.65 2 5 0 54 241.335 4 ↓
Mid Mid (pH 6-8) 0.80 2.74 -39.27 3 5 1 55 242.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-3-[(2S)-3-methyl-2-morpholino-butyl]urea 1-cyclopropyl-3-[(2S)-3-methyl-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) 1.10 1.11 -7.27 2 5 0 54 255.362 5 ↓
Mid Mid (pH 6-8) 1.10 4.19 -41.53 3 5 1 55 256.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-3-[(2R)-3-methyl-2-morpholino-butyl]urea 1-cyclopropyl-3-[(2R)-3-methyl-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) 1.10 1.94 -8.14 2 5 0 54 255.362 5 ↓
Mid Mid (pH 6-8) 1.10 4.18 -41.61 3 5 1 55 256.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[cyclopropyl(2-morpholinoethylcarbamoyl)amino]propanoic 3-[cyclopropyl(2-morpholinoethyl…

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) 0.30 2.87 -53.73 1 7 -1 85 284.336 7 ↓
Mid Mid (pH 6-8) 0.30 5.12 -77.1 2 7 0 86 285.344 7 ↓

Parameters Provided:

ring.id = 67695
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 = 67695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=67695&filter.purchasability=annotated

Embed Link to Results