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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36634187
36634187
36634188
36634188
36634189
36634189

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2R,3R)-3-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,3-dihy (NE,2R,3R)-3-methyl-N-(3-methyl-…

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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 7.82 -14.91 0 7 0 71 398.44 1 ↓

Analogs

36634188
36634188
36634189
36634189
36634186
36634186

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2R,3S)-3-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,3-dihy (NE,2R,3S)-3-methyl-N-(3-methyl-…

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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 7.92 -13.11 0 7 0 71 398.44 1 ↓

Analogs

36634189
36634189
36634186
36634186
36634187
36634187

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2S,3R)-3-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,3-dihy (NE,2S,3R)-3-methyl-N-(3-methyl-…

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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 8.05 -12.69 0 7 0 71 398.44 1 ↓

Analogs

36634186
36634186
36634187
36634187
36634188
36634188

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2S,3S)-3-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,3-dihy (NE,2S,3S)-3-methyl-N-(3-methyl-…

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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 7.96 -14.03 0 7 0 71 398.44 1 ↓

Analogs

36634217
36634217
36634218
36634218
36634219
36634219

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S,3S)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-2,3-dihyd (NZ,2S,3S)-N-(3-ethyl-6,7-dihydr…

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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) 4.04 9.36 -14.38 0 7 0 71 412.467 2 ↓

Analogs

36634218
36634218
36634219
36634219
36634216
36634216

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S,3R)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-2,3-dihyd (NZ,2S,3R)-N-(3-ethyl-6,7-dihydr…

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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) 4.04 9.47 -13.12 0 7 0 71 412.467 2 ↓

Analogs

36634219
36634219
36634216
36634216
36634217
36634217

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R,3S)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-2,3-dihyd (NZ,2R,3S)-N-(3-ethyl-6,7-dihydr…

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) 4.04 9.45 -13.06 0 7 0 71 412.467 2 ↓

Analogs

36634216
36634216
36634217
36634217
36634218
36634218

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R,3R)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-2,3-dihyd (NZ,2R,3R)-N-(3-ethyl-6,7-dihydr…

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) 4.04 9.38 -14.37 0 7 0 71 412.467 2 ↓

Parameters Provided:

ring.id = 99551
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 = 99551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=99551&filter.purchasability=annotated

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