Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qi11bjd0j6t3q6glbnqei6oaa1, 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: 4,5-dimethyl-2-[[(5R)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]thiophene-3-carboxylic- 4,5-dimethyl-2-[[(5R)-5-methyl-4…

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) 3.47 1.73 -10.53 1 6 0 81 362.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethyl-2-[[(5S)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]thiophene-3-carboxylic- 4,5-dimethyl-2-[[(5S)-5-methyl-4…

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) 3.47 1.73 -10.44 1 6 0 81 362.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-carbamoyl-4-methyl-2-[[(5R)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]thiophene-3-car 5-carbamoyl-4-methyl-2-[[(5R)-5-…

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 -1.41 -11.93 3 8 0 124 377.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-carbamoyl-4-methyl-2-[[(5S)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]thiophene-3-car 5-carbamoyl-4-methyl-2-[[(5S)-5-…

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 -1.42 -11.89 3 8 0 124 377.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(5R)-5-tert-butyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylic 2-[[(5R)-5-tert-butyl-4,5,6,7-te…

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) 4.05 2.74 -9.61 1 6 0 81 376.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(5S)-5-tert-butyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylic 2-[[(5S)-5-tert-butyl-4,5,6,7-te…

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) 4.05 2.74 -9.61 1 6 0 81 376.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[[(5R)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]thiophene-3-carboxylic-acid 5-methyl-2-[[(5R)-5-methyl-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) 2.72 7.8 -9.73 1 6 0 81 334.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[[(5S)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carbonyl]amino]thiophene-3-carboxylic-acid 5-methyl-2-[[(5S)-5-methyl-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) 2.72 1.81 -9.68 1 6 0 81 334.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide N-(3-carbamoyl-4,5-dimethyl-2-th…

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) 1.86 3.09 -11.97 3 6 0 98 319.386 3 ↓

Parameters Provided:

ring.id = 242925
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 = 242925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=242925&filter.purchasability=annotated

Embed Link to Results