UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]-3-(p-tolyl)urea 1-[4-[4-(2-methoxyphenyl)piperaz…

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) 4.59 9.65 -22.05 2 8 0 77 513.642 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(3-fluorophenyl)-3-[4-[4-(2-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) 4.28 11.93 -22.37 2 8 0 77 517.605 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-cyanophenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(3-cyanophenyl)-3-[4-[4-(2-met…

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) 3.87 12.21 -24.31 2 9 0 101 524.625 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(4-ethylphenyl)-3-[4-[4-(2-met…

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) 5.06 10.43 -21.83 2 8 0 77 527.669 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(2-methoxyphenyl)-3-[4-[4-(2-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) 4.15 8.46 -20.43 2 9 0 86 529.641 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methoxyphenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(3-methoxyphenyl)-3-[4-[4-(2-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) 4.17 8.33 -23.64 2 9 0 86 529.641 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(4-methoxyphenyl)-3-[4-[4-(2-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) 4.20 8.3 -22.98 2 9 0 86 529.641 7 ↓

Analogs

35709661
35709661

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]-3-(o-tolyl)urea 1-[4-[4-(2-methoxyphenyl)piperaz…

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) 4.54 9.81 -21.95 2 8 0 77 513.642 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(3-ethylphenyl)-3-[4-[4-(2-met…

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) 5.03 10.45 -20.27 2 8 0 77 527.669 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(3,4-dimethylphenyl)-3-[4-[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) 4.96 -4.83 -16.99 2 8 0 77 527.669 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(2,3-dimethylphenyl)-3-[4-[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) 4.94 10.53 -22.15 2 8 0 77 527.669 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(2-ethylphenyl)-3-[4-[4-(2-met…

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) 5.01 -4.67 -17.52 2 8 0 77 527.669 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-cyanophenyl)-3-[4-[4-(2-methoxyphenyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(4-cyanophenyl)-3-[4-[4-(2-met…

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 9.39 -25.18 2 9 0 101 524.625 6 ↓

Parameters Provided:

ring.id = 830
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 = 830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=830&filter.purchasability=annotated

Embed Link to Results