UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2789752
2789752
2790212
2790212
34464898
34464898

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-amino-4-(1-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (4S)-6-amino-4-(1-methylpyrazol-…

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) 2.61 1.04 -13.36 2 7 0 94 394.438 3 ↓

Analogs

2790212
2790212
34464898
34464898
2789751
2789751

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-amino-4-(1-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (4R)-6-amino-4-(1-methylpyrazol-…

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) 2.61 1.03 -13.34 2 7 0 94 394.438 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-amino-1,3-diphenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (4S)-6-amino-1,3-diphenyl-4-(1,3…

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) 3.06 8.37 -14.29 2 7 0 95 422.492 3 ↓
Lo Low (pH 4.5-6) 3.06 8.79 -55.16 3 7 1 96 423.5 3 ↓

Analogs

9281651
9281651
2789752
2789752
2789751
2789751

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-amino-1,3-diphenyl-4-(1,3,5-trimethylpyrazol-4-yl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (4R)-6-amino-1,3-diphenyl-4-(1,3…

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) 3.06 8.61 -13.87 2 7 0 95 422.492 3 ↓
Lo Low (pH 4.5-6) 3.06 9.04 -55.89 3 7 1 96 423.5 3 ↓

Parameters Provided:

ring.id = 236722
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 = 236722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=236722&filter.purchasability=annotated

Embed Link to Results