Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_h7v1q7babh4ka9ifjj6cfuj4c7, 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: (1S)-1-phenyl-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]ethanol (1S)-1-phenyl-2-[4-[2-(2-pyridyl…

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) 1.68 6.31 -37.86 2 4 1 41 312.437 6 ↓
Mid Mid (pH 6-8) 1.68 4.05 -7 1 4 0 40 311.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-phenyl-2-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]ethanol (1R)-1-phenyl-2-[4-[2-(2-pyridyl…

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) 1.68 6.27 -37.9 2 4 1 41 312.437 6 ↓
Mid Mid (pH 6-8) 1.68 4.01 -7.03 1 4 0 40 311.429 6 ↓

Analogs

44125594
44125594
44125597
44125597
44125601
44125601
44125605
44125605
44125802
44125802

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(2R)-2-methyl-4-[2-(2-pyridyl)ethyl]piperazin-1-yl]-1-phenyl-ethanol (1R)-2-[(2R)-2-methyl-4-[2-(2-py…

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) 2.01 6.82 -37.79 2 4 1 41 326.464 6 ↓
Mid Mid (pH 6-8) 2.01 4.57 -6.81 1 4 0 40 325.456 6 ↓

Analogs

44125594
44125594
44125597
44125597
44125601
44125601
44125605
44125605
44125802
44125802

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(2S)-2-methyl-4-[2-(2-pyridyl)ethyl]piperazin-1-yl]-1-phenyl-ethanol (1R)-2-[(2S)-2-methyl-4-[2-(2-py…

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) 2.01 7.18 -36.9 2 4 1 41 326.464 6 ↓
Mid Mid (pH 6-8) 2.01 4.93 -6.42 1 4 0 40 325.456 6 ↓

Parameters Provided:

ring.id = 384531
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 = 384531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=384531&filter.purchasability=annotated

Embed Link to Results