UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenyl-propan-1-one 1-[(2S)-2-(4-methoxyphenyl)pyrro…

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) 4.03 10.86 -10.27 0 3 0 30 309.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenyl-propan-1-one 1-[(2R)-2-(4-methoxyphenyl)pyrro…

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) 4.03 10.86 -10.26 0 3 0 30 309.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one 3-(4-methoxyphenyl)-1-[(2R)-2-(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) 4.08 10.16 -11.43 0 4 0 39 339.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one 3-(4-methoxyphenyl)-1-[(2S)-2-(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) 4.08 10.17 -11.54 0 4 0 39 339.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-oxo-3-[(2S)-2-(p-tolyl)pyrrolidin-1-yl]propyl]benzenesulfonamide 4-[3-oxo-3-[(2S)-2-(p-tolyl)pyrr…

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) 3.11 7.1 -19.2 2 5 0 80 372.49 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-oxo-3-[(2R)-2-(p-tolyl)pyrrolidin-1-yl]propyl]benzenesulfonamide 4-[3-oxo-3-[(2R)-2-(p-tolyl)pyrr…

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) 3.11 7.12 -18.04 2 5 0 80 372.49 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chlorophenyl)-1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one 3-(2-chlorophenyl)-1-[(2S)-2-(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) 4.64 10.59 -12.26 0 4 0 39 373.88 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chlorophenyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one 3-(2-chlorophenyl)-1-[(2R)-2-(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) 4.64 10.65 -12.71 0 4 0 39 373.88 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-dimethoxyphenyl)-1-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one 3-(3,5-dimethoxyphenyl)-1-[(2S)-…

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) 4.44 10.4 -12.47 0 5 0 48 383.488 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-dimethoxyphenyl)-1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one 3-(3,5-dimethoxyphenyl)-1-[(2R)-…

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) 4.44 10.4 -12.46 0 5 0 48 383.488 8 ↓

Analogs

25068306
25068306
25068311
25068311

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one 3-(4-methoxyphenyl)-1-[(2R)-2-(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) 4.06 10.15 -12.34 0 4 0 39 339.435 6 ↓

Analogs

25068306
25068306
25068311
25068311

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one 3-(4-methoxyphenyl)-1-[(2S)-2-(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) 4.06 10.17 -12.28 0 4 0 39 339.435 6 ↓

Analogs

37839145
37839145
37839146
37839146

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one 3-(4-methoxyphenyl)-1-[(2R)-2-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) 4.03 10.85 -10.21 0 3 0 30 309.409 5 ↓

Analogs

37839145
37839145
37839146
37839146

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one 3-(4-methoxyphenyl)-1-[(2S)-2-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) 4.03 10.87 -10.23 0 3 0 30 309.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one 1-[(2R)-2-(4-fluorophenyl)pyrrol…

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) 4.19 10.92 -10.51 0 3 0 30 327.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one 1-[(2S)-2-(4-fluorophenyl)pyrrol…

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) 4.19 10.94 -10.57 0 3 0 30 327.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-methyl-3-phenyl-butan-1-one 1-[(2R)-2-(2,5-dimethoxyphenyl)p…

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 11.03 -10.86 0 4 0 39 367.489 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-methyl-3-phenyl-butan-1-one 1-[(2S)-2-(2,5-dimethoxyphenyl)p…

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 10.96 -10.87 0 4 0 39 367.489 6 ↓

Parameters Provided:

ring.id = 32834
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 = 32834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=32834&filter.purchasability=annotated

Embed Link to Results