UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34970956
34970956
34970957
34970957

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluorophenyl)-N'-piperonyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-fluorophenyl)-N'-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) 2.64 6.24 -17.92 2 7 0 80 385.395 4 ↓

Analogs

34970956
34970956
34970957
34970957

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-N'-piperonyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-fluorophenyl)-N'-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) 2.64 6.25 -19.08 2 7 0 80 385.395 4 ↓

Analogs

34970967
34970967
34979990
34979990
34979992
34979992
34979995
34979995
34979998
34979998

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-methoxyphenyl)-N'-piperonyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(2-methoxyphenyl)-N'-pipe…

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) 2.48 5.57 -18.98 2 8 0 89 397.431 5 ↓

Analogs

34970967
34970967

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methoxyphenyl)-N'-piperonyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(2-methoxyphenyl)-N'-pipe…

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) 2.48 5.62 -19.96 2 8 0 89 397.431 5 ↓

Analogs

34970950
34970950
34970951
34970951

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chlorophenyl)-N'-piperonyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(3-chlorophenyl)-N'-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) 3.13 6.69 -18.97 2 7 0 80 401.85 4 ↓

Analogs

34970950
34970950
34970951
34970951

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chlorophenyl)-N'-piperonyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(3-chlorophenyl)-N'-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) 3.13 6.7 -17.94 2 7 0 80 401.85 4 ↓

Analogs

15936113
15936113
34970950
34970950
34970951
34970951

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(1,3-benzodioxol-5-ylmet…

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) 3.15 6.7 -18.56 2 7 0 80 401.85 4 ↓

Analogs

34970950
34970950
34970951
34970951
15936112
15936112

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(1,3-benzodioxol-5-ylmet…

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) 3.15 6.69 -17.41 2 7 0 80 401.85 4 ↓

Analogs

15936193
15936193

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N'-(1,3-benzodioxol-5-ylmethyl)-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-(1,3-benzodioxol-5-ylmet…

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) 2.92 6.86 -19.58 2 7 0 80 381.432 4 ↓

Analogs

15936192
15936192

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-(1,3-benzodioxol-5-ylmethyl)-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-(1,3-benzodioxol-5-ylmet…

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) 2.92 6.84 -18.29 2 7 0 80 381.432 4 ↓

Parameters Provided:

ring.id = 225501
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 = 225501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=225501&filter.purchasability=annotated

Embed Link to Results