Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ji4b9dmbtqtvug2kc9ost64433, 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: (4R)-4-(1H-indol-3-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (4R)-4-(1H-indol-3-yl)-4,5,6,7-t…

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) 1.93 5.92 -47.96 4 4 1 61 239.302 1 ↓
Hi High (pH 8-9.5) 1.93 4.78 -10.72 3 4 0 57 238.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(1H-indol-3-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (4S)-4-(1H-indol-3-yl)-4,5,6,7-t…

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) 1.93 5.91 -47.68 4 4 1 61 239.302 1 ↓
Hi High (pH 8-9.5) 1.93 4.61 -10.88 3 4 0 57 238.294 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(1-ethylindol-3-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (4R)-4-(1-ethylindol-3-yl)-4,5,6…

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) 2.38 8.55 -47.78 3 4 1 50 267.356 2 ↓
Hi High (pH 8-9.5) 2.38 7.4 -11.02 2 4 0 46 266.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(1-ethylindol-3-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (4S)-4-(1-ethylindol-3-yl)-4,5,6…

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) 2.38 8.53 -47.14 3 4 1 50 267.356 2 ↓
Hi High (pH 8-9.5) 2.38 7.22 -11.01 2 4 0 46 266.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-indole-2-carboxylic 5-methyl-3-[(4R)-4,5,6,7-tetrahy…

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) 2.17 6.88 -58.29 4 6 0 101 296.33 2 ↓
Hi High (pH 8-9.5) 2.17 6.67 -53.1 3 6 -1 97 295.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]-1H-indole-2-carboxylic 5-methyl-3-[(4S)-4,5,6,7-tetrahy…

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) 2.17 6.88 -58.23 4 6 0 101 296.33 2 ↓
Hi High (pH 8-9.5) 2.17 5.57 -62.34 3 6 -1 97 295.322 2 ↓

Parameters Provided:

ring.id = 530422
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 = 530422 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=530422&filter.purchasability=annotated

Embed Link to Results