Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ks2bnamjvb5o2ktic8j2t22jt7, 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: 5-chloro-4-[[(1S)-5-fluoroindan-1-yl]amino]-1H-pyridazin-6-one 5-chloro-4-[[(1S)-5-fluoroindan-…

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) 2.03 4.13 -13.57 2 4 0 58 279.702 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[(1R)-5-fluoroindan-1-yl]amino]-1H-pyridazin-6-one 5-chloro-4-[[(1R)-5-fluoroindan-…

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) 2.03 4.09 -12.9 2 4 0 58 279.702 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[(1S)-4-fluoroindan-1-yl]amino]-1H-pyridazin-6-one 5-chloro-4-[[(1S)-4-fluoroindan-…

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) 2.01 4.13 -13.61 2 4 0 58 279.702 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[(1R)-4-fluoroindan-1-yl]amino]-1H-pyridazin-6-one 5-chloro-4-[[(1R)-4-fluoroindan-…

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) 2.01 4.09 -12.34 2 4 0 58 279.702 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-[[(1R)-4-fluoroindan-1-yl]amino]-2-methyl-pyridazin-3-one 4-chloro-5-[[(1R)-4-fluoroindan-…

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) 2.49 5.77 -13.98 1 4 0 47 293.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-[[(1S)-4-fluoroindan-1-yl]amino]-2-methyl-pyridazin-3-one 4-chloro-5-[[(1S)-4-fluoroindan-…

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) 2.49 5.73 -12.69 1 4 0 47 293.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[(1S)-4-chloroindan-1-yl]amino]-1H-pyridazin-6-one 5-chloro-4-[[(1S)-4-chloroindan-…

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) 2.52 4.56 -12.74 2 4 0 58 296.157 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[(1R)-4-chloroindan-1-yl]amino]-1H-pyridazin-6-one 5-chloro-4-[[(1R)-4-chloroindan-…

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) 2.52 4.52 -11.68 2 4 0 58 296.157 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-[[(1R)-4-chloroindan-1-yl]amino]-2-methyl-pyridazin-3-one 4-chloro-5-[[(1R)-4-chloroindan-…

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) 3.00 6.18 -13.11 1 4 0 47 310.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-[[(1S)-4-chloroindan-1-yl]amino]-2-methyl-pyridazin-3-one 4-chloro-5-[[(1S)-4-chloroindan-…

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) 3.00 6.16 -12.02 1 4 0 47 310.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-[[(1R)-5-chloroindan-1-yl]amino]-2-methyl-pyridazin-3-one 4-chloro-5-[[(1R)-5-chloroindan-…

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) 3.03 6.21 -13.12 1 4 0 47 310.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-[[(1S)-5-chloroindan-1-yl]amino]-2-methyl-pyridazin-3-one 4-chloro-5-[[(1S)-5-chloroindan-…

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) 3.03 6.19 -12.49 1 4 0 47 310.184 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[(1S)-5-chloroindan-1-yl]amino]-1H-pyridazin-6-one 5-chloro-4-[[(1S)-5-chloroindan-…

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) 2.55 4.58 -12.72 2 4 0 58 296.157 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[(1R)-5-chloroindan-1-yl]amino]-1H-pyridazin-6-one 5-chloro-4-[[(1R)-5-chloroindan-…

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) 2.55 4.54 -12.17 2 4 0 58 296.157 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-[[(1R)-5-fluoroindan-1-yl]amino]-2-methyl-pyridazin-3-one 4-chloro-5-[[(1R)-5-fluoroindan-…

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) 2.51 5.76 -13.85 1 4 0 47 293.729 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-[[(1S)-5-fluoroindan-1-yl]amino]-2-methyl-pyridazin-3-one 4-chloro-5-[[(1S)-5-fluoroindan-…

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) 2.51 5.74 -13.2 1 4 0 47 293.729 2 ↓

Parameters Provided:

ring.id = 254336
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 = 254336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=254336&filter.purchasability=annotated

Embed Link to Results