Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_apjnmbd2125936b8dtm0avkgp0, 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: (1R)-3-amino-1-(3,4,5-trimethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (1R)-3-amino-1-(3,4,5-trimethoxy…

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) 1.61 6.68 -19.63 3 9 0 113 381.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-amino-1-(3,4,5-trimethoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (1S)-3-amino-1-(3,4,5-trimethoxy…

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) 1.61 6.68 -19.93 3 9 0 113 381.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-3-amino-1-(3-phenoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (1R)-3-amino-1-(3-phenoxyphenyl)…

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) 3.71 10.46 -16.81 3 7 0 95 383.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-3-amino-1-(3-phenoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one (1S)-3-amino-1-(3-phenoxyphenyl)…

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) 3.71 10.46 -16.57 3 7 0 95 383.411 3 ↓

Analogs

12402432
12402432

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(bromomethyl)-7-methyl-4-phenyl-2,2-bis(trifluoromethyl)-6H-thiazolo[2,3-f][1,3,5]triazine (7R)-7-(bromomethyl)-7-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) 4.41 8.53 -15.22 0 3 0 28 460.241 4 ↓

Analogs

12402431
12402431

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(bromomethyl)-7-methyl-4-phenyl-2,2-bis(trifluoromethyl)-6H-thiazolo[2,3-f][1,3,5]triazine (7S)-7-(bromomethyl)-7-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) 4.41 8.31 -16.7 0 3 0 28 460.241 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dicyano-ethyl-(6-fluoro-1,4-dihydro-1,3,5-triazin-2-yl)ammonium dicyano-ethyl-(6-fluoro-1,4-dihy…

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) -3.96 6.65 -13.04 0 6 0 86 194.173 2 ↓

Analogs

538965
538965

Draw Identity 99% 90% 80% 70%

Popular Name: 3-pyridylBLAHamine 3-pyridylBLAHamine

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) 1.19 -3.73 -40.84 4 6 1 82 265.3 1 ↓

Analogs

538964
538964

Draw Identity 99% 90% 80% 70%

Popular Name: 3-pyridylBLAHamine 3-pyridylBLAHamine

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) 1.19 -3.62 -39.57 4 6 1 82 265.3 1 ↓

Analogs

540231
540231

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-Fluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine 4-(4-Fluorophenyl)-1,4-dihydro[1…

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) 2.59 10.4 -41.78 4 5 1 70 282.302 1 ↓
Lo Low (pH 4.5-6) 2.59 10.88 -99.15 5 5 2 71 283.31 1 ↓

Analogs

540230
540230

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-Fluorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-2-amine 4-(4-Fluorophenyl)-1,4-dihydro[1…

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) 2.59 10.39 -41.72 4 5 1 70 282.302 1 ↓
Lo Low (pH 4.5-6) 2.59 10.87 -99.14 5 5 2 71 283.31 1 ↓

Parameters Provided:

ring.id = 96114
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 = 96114 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=96114&filter.purchasability=annotated

Embed Link to Results