UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-chloro-2-(4-propoxyphenyl)-6,7…

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 9.08 -6.79 0 3 0 35 288.778 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(4-propoxyphenyl)-6,7-dihydro-…

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) 3.54 7.44 -8.37 2 4 0 61 269.348 4 ↓
Mid Mid (pH 6-8) 3.54 7.78 -25.99 3 4 1 62 270.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-methyl-2-(4-propoxyphenyl)-6,7…

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) 3.92 8.93 -25.3 2 4 1 48 284.383 5 ↓
Mid Mid (pH 6-8) 3.92 8.59 -8.56 1 4 0 47 283.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine [2-(4-propoxyphenyl)-6,7-dihydro…

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) 3.31 7.33 -9.18 3 5 0 73 284.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-chloro-2-(3-propoxyphenyl)-6,7…

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) 4.72 9.08 -8.62 0 3 0 35 288.778 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(3-propoxyphenyl)-6,7-dihydro-…

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) 3.52 7.45 -9.72 2 4 0 61 269.348 4 ↓
Mid Mid (pH 6-8) 3.52 7.77 -26.81 3 4 1 62 270.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-methyl-2-(3-propoxyphenyl)-6,7…

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) 3.90 8.6 -9.94 1 4 0 47 283.375 5 ↓
Mid Mid (pH 6-8) 3.90 8.92 -26.08 2 4 1 48 284.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine [2-(3-propoxyphenyl)-6,7-dihydro…

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) 3.28 7.33 -10.56 3 5 0 73 284.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(3-chloro-4-fluoro-phenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-chloro-2-(3-chloro-4-fluoro-ph…

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) 4.58 8.62 -5.48 0 2 0 26 283.133 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-fluoro-phenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(3-chloro-4-fluoro-phenyl)-6,7…

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) 3.38 6.98 -7.19 2 3 0 52 263.703 1 ↓
Lo Low (pH 4.5-6) 3.38 7.32 -28.25 3 3 1 53 264.711 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-fluoro-phenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine 2-(3-chloro-4-fluoro-phenyl)-N-m…

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) 3.75 8.13 -7.08 1 3 0 38 277.73 2 ↓
Mid Mid (pH 6-8) 3.75 8.47 -30.01 2 3 1 39 278.738 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-chloro-4-fluoro-phenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine [2-(3-chloro-4-fluoro-phenyl)-6,…

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) 3.14 6.87 -7.93 3 4 0 64 278.718 2 ↓

Parameters Provided:

ring.id = 35545
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 = 35545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=35545&filter.purchasability=annotated

Embed Link to Results