Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0o6dbnu0fu4e1hvr1kkaeb6mg5, 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: 1-acetyl-N-(1-benzylpropyl)indoline-5-sulfonamide 1-acetyl-N-(1-benzylpropyl)indol…

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 -3.63 -17.33 1 5 0 66 372.49 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-(1-benzylpropyl)indoline-5-sulfonamide 1-acetyl-N-(1-benzylpropyl)indol…

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 -3.44 -17.86 1 5 0 66 372.49 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-[2-(m-tolyl)ethyl]indoline-5-sulfonamide 1-acetyl-N-[2-(m-tolyl)ethyl]ind…

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) 2.67 -3.98 -17.5 1 5 0 66 358.463 5 ↓

Analogs

35512850
35512850

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenethyl-1-propanoyl-indoline-5-sulfonamide N-phenethyl-1-propanoyl-indoline…

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) 2.41 -4.2 -16.74 1 5 0 66 358.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[2-(4-chlorophenyl)et…

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) 3.25 7.37 -17.28 1 5 0 66 392.908 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-indoline-5-sulfonamide 1-acetyl-N-[2-(4-chlorophenyl)et…

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) 3.25 7.38 -17.23 1 5 0 66 392.908 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-2-methyl-N-phenethyl-indoline-5-sulfonamide 1-acetyl-2-methyl-N-phenethyl-in…

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) 2.57 6.88 -16.94 1 5 0 66 358.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-2-methyl-N-phenethyl-indoline-5-sulfonamide 1-acetyl-2-methyl-N-phenethyl-in…

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) 2.57 6.85 -16.67 1 5 0 66 358.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-propanoyl-indoline-5-sulfonamide N-[2-(4-chlorophenyl)ethyl]-2-me…

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) 3.42 -3.99 -14.43 1 5 0 66 406.935 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-propanoyl-indoline-5-sulfonamide N-[2-(4-chlorophenyl)ethyl]-2-me…

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) 3.42 -4 -14.42 1 5 0 66 406.935 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-phenethyl-1-propanoyl-indoline-5-sulfonamide 2-methyl-N-phenethyl-1-propanoyl…

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) 2.74 7.64 -13.66 1 5 0 66 372.49 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-phenethyl-1-propanoyl-indoline-5-sulfonamide 2-methyl-N-phenethyl-1-propanoyl…

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) 2.74 7.63 -13.68 1 5 0 66 372.49 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-propanoyl-N-[2-(p-tolyl)ethyl]indoline-5-sulfonamide 2-methyl-1-propanoyl-N-[2-(p-tol…

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 8.31 -13.64 1 5 0 66 386.517 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-propanoyl-N-[2-(p-tolyl)ethyl]indoline-5-sulfonamide 2-methyl-1-propanoyl-N-[2-(p-tol…

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 8.3 -13.62 1 5 0 66 386.517 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-benzylpropyl)-2-methyl-1-propanoyl-indoline-5-sulfonamide N-(1-benzylpropyl)-2-methyl-1-pr…

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) 3.61 -2.84 -12.54 1 5 0 66 400.544 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-benzylpropyl)-2-methyl-1-propanoyl-indoline-5-sulfonamide N-(1-benzylpropyl)-2-methyl-1-pr…

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) 3.61 -2.98 -14.46 1 5 0 66 400.544 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-benzylpropyl)-2-methyl-1-propanoyl-indoline-5-sulfonamide N-(1-benzylpropyl)-2-methyl-1-pr…

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) 3.61 9.4 -13.6 1 5 0 66 400.544 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-benzylpropyl)-2-methyl-1-propanoyl-indoline-5-sulfonamide N-(1-benzylpropyl)-2-methyl-1-pr…

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) 3.61 -3 -14.47 1 5 0 66 400.544 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-[2-(4-dimethylaminophenyl)ethyl]indoline-5-sulfonamide 1-acetyl-N-[2-(4-dimethylaminoph…

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 6.72 -17.83 1 6 0 70 387.505 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-acetyl-N-[2-(2,6-difluorophenyl)ethyl]-2-methyl-indoline-5-sulfonamide (2R)-1-acetyl-N-[2-(2,6-difluoro…

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 6.9 -14.7 1 5 0 66 394.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-acetyl-N-[2-(2,6-difluorophenyl)ethyl]-2-methyl-indoline-5-sulfonamide (2S)-1-acetyl-N-[2-(2,6-difluoro…

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 6.91 -14.71 1 5 0 66 394.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-acetyl-N-[2-(2-fluorophenyl)-2-methyl-propyl]indoline-5-sulfonamide 1-acetyl-N-[2-(2-fluorophenyl)-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) 3.33 7.23 -18.59 1 5 0 66 390.48 5 ↓

Parameters Provided:

ring.id = 3956
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 = 3956 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3956&filter.purchasability=annotated

Embed Link to Results