UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-8-(3-morpholinopropyl)-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-4-methyl-8-(3-morpholinopro…

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) 3.27 5.55 -9.45 0 6 0 55 426.538 5 ↓
Mid Mid (pH 6-8) 3.27 7.82 -47.23 1 6 1 56 427.546 5 ↓

Analogs

13718957
13718957
13718962
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-methyl-2-[(3-methyl-2-thienyl)methylene]-8-(3-morpholinopropyl)-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-4-methyl-2-[(3-methyl-2-thi…

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) 3.65 6.16 -9.54 0 6 0 55 440.565 5 ↓
Mid Mid (pH 6-8) 3.65 8.42 -47.22 1 6 1 56 441.573 5 ↓

Analogs

22935387
22935387
20714124
20714124
13718559
13718559

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-(3-morpholinopropyl)-2-(2-thienylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(3-morpholinopropyl)-2-(2…

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) 2.89 4.91 -9.48 0 6 0 55 412.511 5 ↓
Mid Mid (pH 6-8) 2.89 7.18 -47.4 1 6 1 56 413.519 5 ↓

Analogs

13718957
13718957
13718962
13718962

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methyl-2-thienyl)methylene]-8-(3-morpholinopropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(3-methyl-2-thienyl)meth…

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) 3.27 5.51 -9.65 0 6 0 55 426.538 5 ↓
Mid Mid (pH 6-8) 3.27 7.77 -47.4 1 6 1 56 427.546 5 ↓

Parameters Provided:

ring.id = 559989
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 = 559989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=559989&filter.purchasability=annotated

Embed Link to Results