UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-aminophenyl)piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-(4-aminophenyl)piperazin-1-yl…

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) 1.52 5.52 -8.89 2 5 0 63 285.347 2 ↓

Analogs

44274060
44274060

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-aminophenyl)piperazin-1-yl]-(5-bromo-2-furyl)methanone [4-(4-aminophenyl)piperazin-1-yl…

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) 2.23 5.41 -6.54 2 5 0 63 350.216 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-aminophenyl)piperazin-1-yl]-(3-methyl-2-furyl)methanone [4-(4-aminophenyl)piperazin-1-yl…

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) 1.67 5.38 -9.09 2 5 0 63 285.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-aminophenyl)piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-(3-aminophenyl)piperazin-1-yl…

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) 1.50 5.53 -8.96 2 5 0 63 285.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-aminophenyl)piperazin-1-yl]-(5-bromo-2-furyl)methanone [4-(3-aminophenyl)piperazin-1-yl…

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) 2.21 5.41 -6.62 2 5 0 63 350.216 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-aminophenyl)piperazin-1-yl]-(3-methyl-2-furyl)methanone [4-(3-aminophenyl)piperazin-1-yl…

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) 1.65 5.39 -9.16 2 5 0 63 285.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminophenyl)piperazin-1-yl]-(5-methyl-2-furyl)methanone [4-(2-aminophenyl)piperazin-1-yl…

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) 1.88 6.47 -7.49 2 5 0 63 285.347 2 ↓

Analogs

44274060
44274060

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminophenyl)piperazin-1-yl]-(5-bromo-2-furyl)methanone [4-(2-aminophenyl)piperazin-1-yl…

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) 2.59 6.2 -5.14 2 5 0 63 350.216 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-aminophenyl)piperazin-1-yl]-(3-methyl-2-furyl)methanone [4-(2-aminophenyl)piperazin-1-yl…

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) 2.03 6.33 -7.69 2 5 0 63 285.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-hydroxyphenyl)piperazin-1-yl]-(3-methyl-2-furyl)methanone [4-(4-hydroxyphenyl)piperazin-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) 2.12 4.64 -10.27 1 5 0 57 286.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{4-[4-(2-furoyl)-1-piperazinyl]phenyl}-N'-isobutyrylthiourea N-{4-[4-(2-furoyl)-1-piperazinyl…

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) 2.08 7.05 -23.5 2 7 0 78 400.504 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]hexanamide N-[[4-[4-(furan-2-carbonyl)piper…

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) 3.40 8.72 -24.12 2 7 0 78 428.558 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{4-[4-(2-furoyl)-1-piperazinyl]phenyl}-N'-(3-methylbutanoyl)thiourea N-{4-[4-(2-furoyl)-1-piperazinyl…

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 7.75 -23.54 2 7 0 78 414.531 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methyl-benzenesulfonamide 2-[4-(furan-2-carbonyl)piperazin…

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) 1.24 4.06 -14.23 1 7 0 83 349.412 4 ↓

Analogs

4189219
4189219

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[4-(furan-2-carbonyl)piperazin-1-yl]benzonitrile 3-fluoro-4-[4-(furan-2-carbonyl)…

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) 2.07 7.74 -11.52 0 5 0 60 299.305 2 ↓

Analogs

12651508
12651508

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2,2-dimethyl-propanamide N-[4-[4-(furan-2-carbonyl)pipera…

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) 3.10 6.62 -13.62 1 6 0 66 355.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-furyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-methanone (5-bromo-2-furyl)-[4-(4-methoxy-…

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) 3.10 0.17 -10.85 0 8 0 91 410.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.72 8.2 -13.28 0 6 0 63 328.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.72 7.95 -12.49 0 6 0 63 328.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-furyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (5-chloro-2-furyl)-[4-(4-nitroph…

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) 2.98 8.13 -11.52 0 7 0 83 335.747 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile 4-[4-(furan-2-carbonyl)piperazin…

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) 2.80 8.01 -15.23 0 5 0 60 349.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-furyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (5-chloro-2-furyl)-[4-(4-fluorop…

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) 3.19 7.49 -7.02 0 4 0 37 308.74 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-furyl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone (5-chloro-2-furyl)-[4-(2-chlorop…

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) 3.65 8.52 -5.99 0 4 0 37 325.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-furyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (5-chloro-2-furyl)-[4-(4-methoxy…

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) 3.08 6.71 -7.38 0 5 0 46 320.776 3 ↓

Parameters Provided:

ring.id = 15754
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 = 15754 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15754&filter.purchasability=annotated

Embed Link to Results