UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(4-chloro-6-methoxy-1,3,5-tria…

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) 3.95 7.76 -6.66 0 5 0 51 290.754 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(4-chloro-6-ethoxy-1,3,5-triaz…

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) 4.33 8.68 -6.48 0 5 0 51 304.781 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,6-dichloro-1,3,5-triazin-2-yl)-1,3,4,5-tetrahydro-2-benzazepine 2-(4,6-dichloro-1,3,5-triazin-2-…

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) 4.17 10.78 -4.98 0 4 0 42 295.173 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N,N-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3,5-triazin-2-amine 4-chloro-N,N-dimethyl-6-(1,3,4,5…

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) 4.13 13.48 -7.44 0 5 0 45 303.797 2 ↓

Parameters Provided:

ring.id = 315408
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 = 315408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=315408&filter.purchasability=annotated

Embed Link to Results