UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(2-methoxy-5-methyl-phenyl)methanone (4-hydroxyimino-1-piperidyl)-(2-…

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) 1.91 3.7 -12.45 1 5 0 62 262.309 2 ↓

Analogs

42453805
42453805
42458791
42458791
42458793
42458793
43419025
43419025

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromo-5-fluoro-phenyl)-(4-hydroxyimino-1-piperidyl)methanone (2-bromo-5-fluoro-phenyl)-(4-hyd…

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) 1.83 4.08 -10.53 1 4 0 53 315.142 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(3-nitrophenyl)methanone (4-hydroxyimino-1-piperidyl)-(3-…

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) 0.86 4.1 -16.39 1 7 0 99 263.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-hydroxyiminopiperidine-1-carbonyl)benzonitrile 3-(4-hydroxyiminopiperidine-1-ca…

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) 0.66 3.81 -12.13 1 5 0 77 243.266 1 ↓

Analogs

42453909
42453909
42459167
42459167
42459169
42459169

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(2-hydroxy-3-methoxy-phenyl)methanone (4-hydroxyimino-1-piperidyl)-(2-…

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) 1.02 1.13 -13.85 2 6 0 82 264.281 2 ↓
Hi High (pH 8-9.5) 1.02 1.89 -58.63 1 6 -1 85 263.273 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dichlorophenyl)-(4-hydroxyimino-1-piperidyl)methanone (2,6-dichlorophenyl)-(4-hydroxyi…

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) 2.19 4.43 -11.3 1 4 0 53 287.146 1 ↓

Analogs

42453914
42453914
42459187
42459187
42459189
42459189

Draw Identity 99% 90% 80% 70%

Popular Name: (5-chloro-2-hydroxy-phenyl)-(4-hydroxyimino-1-piperidyl)methanone (5-chloro-2-hydroxy-phenyl)-(4-h…

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 1.59 -8.93 2 5 0 73 268.7 1 ↓
Mid Mid (pH 6-8) 2.07 2.2 -47.76 1 5 -1 76 267.692 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(4-methyl-3-nitro-phenyl)methanone (4-hydroxyimino-1-piperidyl)-(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) 1.26 4.62 -16.21 1 7 0 99 277.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(2-hydroxyphenyl)methanone (4-hydroxyimino-1-piperidyl)-(2-…

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) 1.42 1.09 -10.97 2 5 0 73 234.255 1 ↓
Hi High (pH 8-9.5) 1.42 1.7 -54.82 1 5 -1 76 233.247 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)-(4-hydroxyimino-1-piperidyl)methanone (3,4-dimethylphenyl)-(4-hydroxyi…

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) 1.75 4.75 -10.48 1 4 0 53 246.31 1 ↓

Analogs

42453770
42453770
42458651
42458651
42458653
42458653

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(difluoromethoxy)phenyl]-(4-hydroxyimino-1-piperidyl)methanone [2-(difluoromethoxy)phenyl]-(4-h…

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) 2.04 3.17 -13.44 1 5 0 62 284.262 3 ↓

Analogs

42453900
42453900

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-2-fluoro-phenyl)-(4-hydroxyimino-1-piperidyl)methanone (4-bromo-2-fluoro-phenyl)-(4-hyd…

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) 1.83 4.13 -12.89 1 4 0 53 315.142 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(o-tolyl)methanone (4-hydroxyimino-1-piperidyl)-(o-…

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) 1.33 4.09 -10.86 1 4 0 53 232.283 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(4-hydroxyphenyl)methanone (4-hydroxyimino-1-piperidyl)-(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) 0.45 0.58 -14.37 2 5 0 73 234.255 1 ↓
Hi High (pH 8-9.5) 0.45 1.37 -45.52 1 5 -1 76 233.247 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethylphenyl)-(4-hydroxyimino-1-piperidyl)methanone (3,5-dimethylphenyl)-(4-hydroxyi…

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) 1.75 4.74 -11.22 1 4 0 53 246.31 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(3-methyl-4-nitro-phenyl)methanone (4-hydroxyimino-1-piperidyl)-(3-…

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) 1.26 4.69 -12.05 1 7 0 99 277.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethylphenyl)-(4-hydroxyimino-1-piperidyl)methanone (2,3-dimethylphenyl)-(4-hydroxyi…

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) 1.73 4.7 -10.86 1 4 0 53 246.31 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-fluoro-2-methyl-phenyl)-(4-hydroxyimino-1-piperidyl)methanone (5-fluoro-2-methyl-phenyl)-(4-hy…

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) 1.47 4.07 -8.72 1 4 0 53 250.273 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxyimino-1-piperidyl)-(3,4,5-trifluorophenyl)methanone (4-hydroxyimino-1-piperidyl)-(3,…

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) 1.27 3.6 -9.53 1 4 0 53 272.226 1 ↓

Analogs

42453944
42453944

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-chloro-phenyl)-(4-hydroxyimino-1-piperidyl)methanone (5-bromo-2-chloro-phenyl)-(4-hyd…

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) 2.34 4.56 -9.01 1 4 0 53 331.597 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-dimethylaminophenyl)-(4-hydroxyimino-1-piperidyl)methanone (4-dimethylaminophenyl)-(4-hydro…

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) 1.03 3.84 -10.68 1 5 0 56 261.325 2 ↓

Parameters Provided:

ring.id = 37582
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 = 37582 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=37582&filter.purchasability=annotated

Embed Link to Results