UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-cyclohexyl-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6 (7Z)-3-cyclohexyl-9-methyl-7-[(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) 5.35 11.33 -10.16 0 5 0 48 428.532 2 ↓
Mid Mid (pH 6-8) 5.35 14.3 -47.43 1 5 1 49 429.54 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-cyclohexyl-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (7Z)-3-cyclohexyl-7-[(1-ethylind…

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) 5.72 12.23 -9.8 0 5 0 48 442.559 3 ↓
Mid Mid (pH 6-8) 5.72 15.22 -47.12 1 5 1 49 443.567 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-cyclohexyl-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-cyclohexyl-7-[(5-methoxy-…

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) 5.38 10.62 -12.2 0 6 0 57 458.558 3 ↓
Mid Mid (pH 6-8) 5.38 13.6 -49.34 1 6 1 58 459.566 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-3-cyclohexyl-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-3-cyclohexyl-7-[(1-ethyl-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) 5.76 11.53 -11.79 0 6 0 57 472.585 4 ↓
Mid Mid (pH 6-8) 5.76 14.52 -48.93 1 6 1 58 473.593 4 ↓

Parameters Provided:

ring.id = 551079
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 = 551079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=551079&filter.purchasability=annotated

Embed Link to Results