Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_fenoc3h0tqr9h5rbdh2skltti3, 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: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-methylsulfanyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-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) 2.96 5.05 -12.39 0 5 0 57 317.395 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1,3-benzodioxol-5-yl)-4-ethylsulfanyl-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-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) 3.34 5.93 -12.4 0 5 0 57 331.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-propylsulfanyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-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) 3.84 6.72 -12.17 0 5 0 57 345.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1,3-benzodioxol-5-yl)-4-butylsulfanyl-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-butyl…

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) 4.40 7.5 -12.03 0 5 0 57 359.476 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1,3-benzodioxol-5-yl)-4-isopentylsulfanyl-2-methyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-4-isope…

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) 4.61 8.02 -11.93 0 5 0 57 373.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-allylsulfanyl-7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazine 4-allylsulfanyl-7-(1,3-benzodiox…

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) 3.60 6.5 -12.36 0 5 0 57 343.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(1,3-benzodioxol-5-yl)-2-methyl-4-prop-2-ynylsulfanyl-thiazolo[5,4-d]pyridazine 7-(1,3-benzodioxol-5-yl)-2-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) 3.12 6.46 -13.19 0 5 0 57 341.417 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanylacetamide 2-[7-(1,3-benzodioxol-5-yl)-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) 1.69 1.99 -16.98 2 7 0 100 360.42 4 ↓

Analogs

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) 2.30 5.36 -16.49 1 9 0 113 446.51 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N,N-diethyl-acetamide 2-[7-(1,3-benzodioxol-5-yl)-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) 3.06 7.39 -16.37 0 7 0 77 416.528 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N,N-diethyl-ethanamine 2-[7-(1,3-benzodioxol-5-yl)-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) 3.74 8.62 -39.9 1 6 1 62 403.553 7 ↓
Hi High (pH 8-9.5) 3.74 6.51 -12.18 0 6 0 60 402.545 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 2.82 5.94 -14.3 0 7 0 83 375.431 5 ↓

Analogs

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) 3.20 6.87 -14.05 0 7 0 83 389.458 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanylacetonitrile 2-[7-(1,3-benzodioxol-5-yl)-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) 2.74 5.68 -13.49 0 6 0 81 342.405 3 ↓

Analogs

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) 2.33 8.53 -22.15 0 8 0 101 431.495 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanylpropan-2-one 1-[7-(1,3-benzodioxol-5-yl)-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) 2.50 5.84 -15.72 0 6 0 74 359.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-methyl-acetamide 2-[7-(1,3-benzodioxol-5-yl)-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) 2.06 3.48 -16.99 1 7 0 86 374.447 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-propyl-acetamide 2-[7-(1,3-benzodioxol-5-yl)-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) 2.94 5.09 -16.26 1 7 0 86 402.501 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-isopropyl-acetamide 2-[7-(1,3-benzodioxol-5-yl)-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) 2.74 5.12 -16.44 1 7 0 86 402.501 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-tert-butyl-acetamide 2-[7-(1,3-benzodioxol-5-yl)-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) 3.25 5.62 -15.86 1 7 0 86 416.528 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-(2-methoxyethyl)acetam 2-[7-(1,3-benzodioxol-5-yl)-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) 2.05 3.4 -17.02 1 8 0 95 418.5 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N,N-diisopropyl-acetamid 2-[7-(1,3-benzodioxol-5-yl)-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) 3.66 8.47 -15.23 0 7 0 77 444.582 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[7-(1,3-benzodioxol-5-yl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetamide N-allyl-2-[7-(1,3-benzodioxol-5-…

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) 2.71 4.88 -16.07 1 7 0 86 400.485 6 ↓

Parameters Provided:

ring.id = 229094
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 = 229094 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=229094&filter.purchasability=annotated

Embed Link to Results