UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A83550315-001-01-9 BRD-A83550315-001-01-9

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) 4.48 6.54 -13.37 3 6 0 97 420.9 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A83550315-001-01-9 BRD-A83550315-001-01-9

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) 4.48 6.65 -13.17 3 6 0 97 420.9 4 ↓

Analogs

2785406
2785406

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-{5-[(2-bromophenoxy)me…

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) 4.61 7.47 -10.3 3 6 0 97 465.351 4 ↓
Lo Low (pH 4.5-6) 4.61 7.75 -48.63 4 6 1 99 466.359 4 ↓

Analogs

2785405
2785405

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-{5-[(2-bromophenoxy)me…

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) 4.61 7.41 -10.36 3 6 0 97 465.351 4 ↓
Lo Low (pH 4.5-6) 4.61 7.75 -48.53 4 6 1 99 466.359 4 ↓

Analogs

4167692
4167692
5095060
5095060
5095061
5095061
5409098
5409098
5409099
5409099

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-[4-methoxy-3-(phenoxym…

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) 3.08 4.37 -11.07 3 7 0 106 388.427 5 ↓

Analogs

5095060
5095060
5095061
5095061
5409098
5409098
5409099
5409099
4167691
4167691

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-[4-methoxy-3-(phenoxym…

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) 3.08 4.29 -11.15 3 7 0 106 388.427 5 ↓

Parameters Provided:

ring.id = 3693
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 = 3693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3693&filter.purchasability=annotated

Embed Link to Results