UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4077326
4077326
4176060
4176060

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butoxy-N-[7-(3,4-dimethylphenyl)-3-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]-benzamide 4-butoxy-N-[7-(3,4-dimethylpheny…

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) 5.70 1.02 -11.92 1 5 0 56 421.566 7 ↓

Analogs

4087559
4087559

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-e (E)-3-(1,3-benzodioxol-5-yl)-N-[…

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) 4.74 11.69 -14 1 6 0 65 419.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-morpholinoethyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)oxamide N'-(2-morpholinoethyl)-N-(2-phen…

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) 0.44 4.05 -11.48 2 8 0 88 401.492 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(3-morpholinopropyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)oxamide N'-(3-morpholinopropyl)-N-(2-phe…

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) 0.71 4.84 -11.7 2 8 0 88 415.519 7 ↓

Analogs

4941602
4941602

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylpiperazin-1-yl)-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)acetamide 2-(4-methylpiperazin-1-yl)-2-oxo…

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) 0.70 6.08 -8.47 1 7 0 70 371.466 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-d]pyrazol-3-yl)-2-(4-methylpiperazin-1-yl)-2-oxo-acetamide N-(2-tert-butyl-4,6-dihydrothien…

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) 0.61 4.84 -7.55 1 7 0 70 351.476 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]aceta N-[2-(2,4-dimethylphenyl)-4,6-di…

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) 2.27 6.97 -14.45 1 7 0 84 394.522 5 ↓

Parameters Provided:

ring.id = 3167
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 = 3167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3167&filter.purchasability=annotated

Embed Link to Results