UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-isopropylphenyl)methyl]-4-[1-[(4-isopropylphenyl)methyl]pyrazol-4-yl]pyrazole 1-[(4-isopropylphenyl)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) 6.70 15.36 -10.27 0 4 0 36 398.554 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(m-tolylmethyl)-4-[1-(m-tolylmethyl)pyrazol-4-yl]pyrazole 1-(m-tolylmethyl)-4-[1-(m-tolylm…

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) 4.53 12.83 -10.87 0 4 0 36 342.446 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole 1-[(2-ethoxyphenyl)methyl]-4-[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) 4.45 12.03 -13.31 0 6 0 54 402.498 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-chlorophenyl)methyl]-4-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazole 1-[(3-chlorophenyl)methyl]-4-[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) 4.99 12.52 -11.54 0 4 0 36 383.282 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-4-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazole 1-[(4-fluorophenyl)methyl]-4-[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) 4.00 11.63 -12.66 0 4 0 36 350.372 5 ↓

Analogs

34926154
34926154

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(o-tolylmethyl)-4-[1-(o-tolylmethyl)pyrazol-4-yl]pyrazole 1-(o-tolylmethyl)-4-[1-(o-tolylm…

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 12.84 -10.12 0 4 0 36 342.446 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-tert-butylphenyl)methyl]-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole 1-[(4-tert-butylphenyl)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) 7.09 16.14 -10.14 0 4 0 36 426.608 7 ↓

Parameters Provided:

ring.id = 591030
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 = 591030 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=591030&filter.purchasability=annotated

Embed Link to Results