Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_c9uev0rbhe21jkmobum9lu4lm4, 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

15935263
15935263

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5,6-dichloro-1-propyl-benzimidazol-2-yl)ethyl]-4-methyl-thiazol-2-amine N-[(1R)-1-(5,6-dichloro-1-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) 4.83 9.63 -9.08 1 4 0 43 369.321 5 ↓
Lo Low (pH 4.5-6) 4.83 10.08 -31.91 2 4 1 44 370.329 5 ↓
Lo Low (pH 4.5-6) 4.83 10.18 -33.7 2 4 1 44 370.329 5 ↓

Analogs

15935262
15935262

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5,6-dichloro-1-propyl-benzimidazol-2-yl)ethyl]-4-methyl-thiazol-2-amine N-[(1S)-1-(5,6-dichloro-1-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) 4.83 9.6 -8.82 1 4 0 43 369.321 5 ↓
Lo Low (pH 4.5-6) 4.83 10.06 -33.23 2 4 1 44 370.329 5 ↓
Lo Low (pH 4.5-6) 4.83 10.51 -88.12 3 4 2 45 371.337 5 ↓

Analogs

15937213
15937213

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-methylthiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol (2S)-2-[(4-methylthiazol-2-yl)am…

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) 2.56 5.46 -13.55 2 5 0 63 316.43 6 ↓
Mid Mid (pH 6-8) 2.56 5.87 -29.23 3 5 1 64 317.438 6 ↓
Lo Low (pH 4.5-6) 2.56 6.31 -78.19 4 5 2 65 318.446 6 ↓

Analogs

15937212
15937212

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-methylthiazol-2-yl)amino]-2-(1-propylbenzimidazol-2-yl)ethanol (2R)-2-[(4-methylthiazol-2-yl)am…

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) 2.56 5.43 -13.25 2 5 0 63 316.43 6 ↓
Mid Mid (pH 6-8) 2.56 5.74 -28.91 3 5 1 64 317.438 6 ↓
Lo Low (pH 4.5-6) 2.56 6.19 -79.32 4 5 2 65 318.446 6 ↓

Parameters Provided:

ring.id = 253910
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 = 253910 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=253910&filter.purchasability=annotated

Embed Link to Results