Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_doekn9rhkiipojkh6nvflc2ap6, 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: 6-chloro-5-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl]indolin-2-one 6-chloro-5-[[(3S)-3-hydroxy-1-pi…

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) 0.76 -0.29 -12.3 2 6 0 87 330.793 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-5-[[(3R)-3-hydroxy-1-piperidyl]sulfonyl]indolin-2-one 6-chloro-5-[[(3R)-3-hydroxy-1-pi…

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) 0.76 -0.22 -12.17 2 6 0 87 330.793 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl]-3-methyl-indolin-2-one (3R)-5-[[(3S)-3-hydroxy-1-piperi…

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) 0.48 0.16 -12.16 2 6 0 87 310.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-amino-1-piperidyl)sulfonyl]-6-chloro-indolin-2-one 5-[(4-amino-1-piperidyl)sulfonyl…

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) 0.27 0.3 -56.96 4 6 1 94 330.817 2 ↓

Analogs

49659678
49659678
49659679
49659679
20939990
20939990
8428620
8428620

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-5-[(4-amino-1-piperidyl)sulfonyl]-3-methyl-indolin-2-one (3R)-5-[(4-amino-1-piperidyl)sul…

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) -0.01 0.77 -56.53 4 6 1 94 310.399 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-5-[[(2R)-2-methyl-1-piperidyl]sulfonyl]indolin-2-one 3,3-dimethyl-5-[[(2R)-2-methyl-1…

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) 2.61 4.55 -10.45 1 5 0 66 322.43 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-5-[[(2S)-2-methyl-1-piperidyl]sulfonyl]indolin-2-one 3,3-dimethyl-5-[[(2S)-2-methyl-1…

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) 2.61 4.54 -10.39 1 5 0 66 322.43 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-3,3-dimethyl-indolin-2-one 5-[[(3S,5R)-3,5-dimethyl-1-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) 2.99 5.14 -10.02 1 5 0 66 336.457 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-3,3-dimethyl-indolin-2-one 5-[[(3S,5S)-3,5-dimethyl-1-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) 2.99 5.13 -10.09 1 5 0 66 336.457 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-3,3-dimethyl-indolin-2-one 5-[[(3R,5R)-3,5-dimethyl-1-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) 2.99 5.13 -10.08 1 5 0 66 336.457 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3,3-dimethyl-5-(1-piperidylsulfonyl)indolin-2-one 1-ethyl-3,3-dimethyl-5-(1-piperi…

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) 2.90 6.91 -10.86 0 5 0 58 336.457 3 ↓

Analogs

15941907
15941907

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.63 7.46 -14.5 0 7 0 84 394.493 5 ↓

Analogs

15941905
15941905

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.63 7.49 -13.72 0 7 0 84 394.493 5 ↓

Analogs

6818744
6818744

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1,3,3-trimethyl-indolin-2-one 5-[[(3R,5S)-3,5-dimethyl-1-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) 3.24 7.13 -10.53 0 5 0 58 350.484 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3,3-dimethyl-5-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-oxo-indolin-1-yl]-N-(1,1-dimethylpropyl)ac 2-[3,3-dimethyl-5-[[(3S)-3-methy…

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 7.95 -15.72 1 7 0 87 449.617 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3,3-dimethyl-5-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-oxo-indolin-1-yl]-N-(1,1-dimethylpropyl)ac 2-[3,3-dimethyl-5-[[(3R)-3-methy…

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 7.99 -16.18 1 7 0 87 449.617 6 ↓

Parameters Provided:

ring.id = 18762
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 = 18762 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18762&filter.purchasability=annotated

Embed Link to Results