Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_mgc5702p5bk4etlc96r8vv74e5, 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: N-[(1R)-2-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)amino]-1-methyl-2-oxo-ethyl]benzamid N-[(1R)-2-[(5-benzyl-6,7-dihydro…

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) 3.04 10.42 -51.96 3 6 1 76 421.546 6 ↓
Hi High (pH 8-9.5) 3.04 8.14 -15.11 2 6 0 74 420.538 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)amino]-1-methyl-2-oxo-ethyl]benzamid N-[(1S)-2-[(5-benzyl-6,7-dihydro…

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) 3.04 10.42 -51.77 3 6 1 76 421.546 6 ↓
Hi High (pH 8-9.5) 3.04 8.14 -15.02 2 6 0 74 420.538 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-3-methyl-butyl]-2-methyl- N-[(1R)-1-[(5-benzyl-6,7-dihydro…

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) 4.75 13.56 -49.57 3 6 1 76 477.654 8 ↓
Mid Mid (pH 6-8) 4.75 10.61 -14.36 2 6 0 74 476.646 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-3-methyl-butyl]-2-methyl- N-[(1S)-1-[(5-benzyl-6,7-dihydro…

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) 4.75 12.96 -49.94 3 6 1 76 477.654 8 ↓
Mid Mid (pH 6-8) 4.75 11.13 -13.27 2 6 0 74 476.646 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-2-methyl-butyl]benzami N-[(1R,2R)-1-[(5-benzyl-6,7-dihy…

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) 4.32 12.63 -50.01 3 6 1 76 463.627 8 ↓
Mid Mid (pH 6-8) 4.32 10.4 -15.09 2 6 0 74 462.619 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-2-methyl-butyl]benzami N-[(1R,2S)-1-[(5-benzyl-6,7-dihy…

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) 4.32 12.44 -49.65 3 6 1 76 463.627 8 ↓
Mid Mid (pH 6-8) 4.32 10.5 -14.57 2 6 0 74 462.619 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-2-methyl-butyl]benzami N-[(1S,2R)-1-[(5-benzyl-6,7-dihy…

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) 4.32 12.47 -49.72 3 6 1 76 463.627 8 ↓
Mid Mid (pH 6-8) 4.32 10.3 -13.79 2 6 0 74 462.619 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-2-methyl-butyl]benzami N-[(1S,2S)-1-[(5-benzyl-6,7-dihy…

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) 4.32 12.69 -50.25 3 6 1 76 463.627 8 ↓
Mid Mid (pH 6-8) 4.32 10.17 -14.37 2 6 0 74 462.619 8 ↓

Analogs

36648537
36648537
36648539
36648539

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-2-methyl-propyl]-2,6-difl N-[(1R)-1-[(5-benzyl-6,7-dihydro…

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) 4.05 11.77 -52.91 3 6 1 76 485.58 7 ↓
Mid Mid (pH 6-8) 4.05 9.6 -17.4 2 6 0 74 484.572 7 ↓

Analogs

36648537
36648537
36648539
36648539

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-2-methyl-propyl]-2,6-difl N-[(1S)-1-[(5-benzyl-6,7-dihydro…

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) 4.05 11.74 -52.7 3 6 1 76 485.58 7 ↓
Mid Mid (pH 6-8) 4.05 9.6 -18.32 2 6 0 74 484.572 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-2-methyl-propyl]-4-fluoro N-[(1R)-1-[(5-benzyl-6,7-dihydro…

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) 3.98 11.9 -49.94 3 6 1 76 467.59 7 ↓
Mid Mid (pH 6-8) 3.98 9.87 -14.67 2 6 0 74 466.582 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(5-benzyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)carbamoyl]-2-methyl-propyl]-4-fluoro N-[(1S)-1-[(5-benzyl-6,7-dihydro…

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) 3.98 11.87 -49.77 3 6 1 76 467.59 7 ↓
Mid Mid (pH 6-8) 3.98 9.56 -13.54 2 6 0 74 466.582 7 ↓

Parameters Provided:

ring.id = 84821
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 = 84821 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=84821&filter.purchasability=annotated

Embed Link to Results