Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0di4p8vu2ojii4fpare6ql2kr6, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[3-(4-aminophenoxy)propyl]-4-methyl-pyrrolidin-2-one (4R)-1-[3-(4-aminophenoxy)propyl…

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) 1.57 5.09 -11.01 2 4 0 56 248.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[3-(4-aminophenoxy)propyl]-4-methyl-pyrrolidin-2-one (4S)-1-[3-(4-aminophenoxy)propyl…

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) 1.57 5.09 -11.05 2 4 0 56 248.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[3-(3-aminophenoxy)propyl]-4-methyl-pyrrolidin-2-one (4R)-1-[3-(3-aminophenoxy)propyl…

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) 1.55 5.1 -11.15 2 4 0 56 248.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[3-(3-aminophenoxy)propyl]-4-methyl-pyrrolidin-2-one (4S)-1-[3-(3-aminophenoxy)propyl…

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) 1.55 5.1 -11.16 2 4 0 56 248.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[3-(2-aminophenoxy)propyl]-4-methyl-pyrrolidin-2-one (4R)-1-[3-(2-aminophenoxy)propyl…

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) 1.93 5.22 -10.37 2 4 0 56 248.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[3-(2-aminophenoxy)propyl]-4-methyl-pyrrolidin-2-one (4S)-1-[3-(2-aminophenoxy)propyl…

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) 1.93 5.22 -10.39 2 4 0 56 248.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[3-[3-(aminomethyl)phenoxy]propyl]-4-methyl-pyrrolidin-2-one (4R)-1-[3-[3-(aminomethyl)phenox…

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 5.26 -50.41 3 4 1 57 263.361 6 ↓
Hi High (pH 8-9.5) 1.65 4.86 -10.61 2 4 0 56 262.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[3-[3-(aminomethyl)phenoxy]propyl]-4-methyl-pyrrolidin-2-one (4S)-1-[3-[3-(aminomethyl)phenox…

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 5.26 -50.43 3 4 1 57 263.361 6 ↓
Hi High (pH 8-9.5) 1.65 4.86 -10.64 2 4 0 56 262.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[3-[2-(aminomethyl)phenoxy]propyl]-4-methyl-pyrrolidin-2-one (4R)-1-[3-[2-(aminomethyl)phenox…

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) 1.63 5.33 -46.92 3 4 1 57 263.361 6 ↓
Hi High (pH 8-9.5) 1.63 4.9 -10.81 2 4 0 56 262.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[3-[2-(aminomethyl)phenoxy]propyl]-4-methyl-pyrrolidin-2-one (4S)-1-[3-[2-(aminomethyl)phenox…

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) 1.63 5.32 -46.69 3 4 1 57 263.361 6 ↓
Hi High (pH 8-9.5) 1.63 4.9 -10.82 2 4 0 56 262.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methyl-pyrrolidin-2-one (4R)-1-[3-[4-(aminomethyl)phenox…

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) 1.68 5.26 -52.53 3 4 1 57 263.361 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methyl-pyrrolidin-2-one (4S)-1-[3-[4-(aminomethyl)phenox…

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) 1.68 5.26 -52.52 3 4 1 57 263.361 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzonitrile 4-[3-[(4R)-4-methyl-2-oxo-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) 2.25 7.63 -12.43 0 4 0 53 258.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzonitrile 4-[3-[(4S)-4-methyl-2-oxo-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) 2.25 7.63 -12.47 0 4 0 53 258.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzonitrile 3-[3-[(4R)-4-methyl-2-oxo-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) 2.23 7.61 -13.05 0 4 0 53 258.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzonitrile 3-[3-[(4S)-4-methyl-2-oxo-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) 2.23 7.61 -13.15 0 4 0 53 258.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzonitrile 2-[3-[(4R)-4-methyl-2-oxo-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) 2.20 7.66 -15.29 0 4 0 53 258.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzonitrile 2-[3-[(4S)-4-methyl-2-oxo-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) 2.20 7.65 -15.43 0 4 0 53 258.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzenecarbothioamide 4-[3-[(4R)-4-methyl-2-oxo-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) 2.29 6.46 -19.2 2 4 0 56 292.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzenecarbothioamide 4-[3-[(4S)-4-methyl-2-oxo-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) 2.29 6.46 -19.19 2 4 0 56 292.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzenecarbothioamide 2-[3-[(4R)-4-methyl-2-oxo-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) 2.25 6.79 -20.86 2 4 0 56 292.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzenecarbothioamide 2-[3-[(4S)-4-methyl-2-oxo-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) 2.25 6.79 -21.02 2 4 0 56 292.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzenecarbothioamide 3-[3-[(4R)-4-methyl-2-oxo-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) 2.27 6.45 -22.03 2 4 0 56 292.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]propoxy]benzenecarbothioamide 3-[3-[(4S)-4-methyl-2-oxo-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) 2.27 6.45 -22.1 2 4 0 56 292.404 6 ↓

Parameters Provided:

ring.id = 279752
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 = 279752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=279752&filter.purchasability=annotated

Embed Link to Results