Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jjnm7286o79kljsvfrfh66avr4, 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: (2S)-N-[[(1R)-1-cyclohex-3-enyl]methyl]-2-(2-furyl)-2-pyrrolidin-1-yl-ethanamine (2S)-N-[[(1R)-1-cyclohex-3-enyl]…

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) 2.82 7.37 -41.91 2 3 1 33 275.416 6 ↓
Mid Mid (pH 6-8) 2.82 10.1 -121.88 3 3 2 34 276.424 6 ↓
Mid Mid (pH 6-8) 2.82 9.76 -30.57 2 3 1 30 275.416 6 ↓

Analogs

34675493
34675493
34675494
34675494
34675496
34675496
34675498
34675498
34675500
34675500

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(1R)-1-cyclohex-3-enyl]methyl]-2-(2-furyl)-2-pyrrolidin-1-yl-ethanamine (2R)-N-[[(1R)-1-cyclohex-3-enyl]…

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) 2.82 7.49 -42.56 2 3 1 33 275.416 6 ↓
Mid Mid (pH 6-8) 2.82 9.75 -129.77 3 3 2 34 276.424 6 ↓
Mid Mid (pH 6-8) 2.82 8.43 -32.58 2 3 1 30 275.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(1S)-1-cyclohex-3-enyl]methyl]-2-(2-furyl)-2-pyrrolidin-1-yl-ethanamine (2S)-N-[[(1S)-1-cyclohex-3-enyl]…

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) 2.82 7.56 -42.53 2 3 1 33 275.416 6 ↓
Mid Mid (pH 6-8) 2.82 10.13 -123.09 3 3 2 34 276.424 6 ↓
Mid Mid (pH 6-8) 2.82 9.78 -30.19 2 3 1 30 275.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(1S)-1-cyclohex-3-enyl]methyl]-2-(2-furyl)-2-pyrrolidin-1-yl-ethanamine (2R)-N-[[(1S)-1-cyclohex-3-enyl]…

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) 2.82 7.62 -42.69 2 3 1 33 275.416 6 ↓
Mid Mid (pH 6-8) 2.82 10 -124.84 3 3 2 34 276.424 6 ↓
Mid Mid (pH 6-8) 2.82 8.35 -32.91 2 3 1 30 275.416 6 ↓

Parameters Provided:

ring.id = 23869
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 = 23869 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23869&filter.purchasability=annotated

Embed Link to Results