UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33741924
33741924
33768334
33768334

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(Z)-2-chloro-3-phenyl-prop-2-enylidene]-2-(4-nitrophenyl)oxazol-5-one 4-[(Z)-2-chloro-3-phenyl-prop-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) 4.36 9.96 -15.2 0 6 0 89 354.749 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2,4-dichlorophenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(2,4-dichlorophenyl)-4-[(…

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) 5.18 10.35 -9.66 0 4 0 52 374.223 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(3-bromophenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(3-bromophenyl)-4-[(E)-3-…

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) 4.68 9.28 -11.25 0 4 0 52 384.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(4-bromophenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(4-bromophenyl)-4-[(E)-3-…

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) 4.71 9.3 -9.82 0 4 0 52 384.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(4-butylphenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(4-butylphenyl)-4-[(E)-3-…

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 11.66 -10.69 0 4 0 52 361.441 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(4-butylphenyl)-4-cinnamylidene-oxazol-5-one (4Z)-2-(4-butylphenyl)-4-cinnamy…

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) 5.93 12.27 -10.39 0 3 0 43 331.415 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-chloro-4-nitro-phenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(2-chloro-4-nitro-phenyl)…

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) 4.46 10.15 -17.74 0 7 0 98 384.775 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-chloro-4-methoxy-phenyl)-4-cinnamylidene-oxazol-5-one (4Z)-2-(2-chloro-4-methoxy-pheny…

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) 4.73 9.78 -11.26 0 4 0 52 339.778 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-phenyl…

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) 4.69 9.15 -13.05 0 5 0 62 414.255 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(Z)-2-chloro-3-phenyl-prop-2-enylidene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-phenyl…

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) 5.20 10.82 -12 0 4 0 52 418.674 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-cinnamylidene-oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-phenyl…

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) 4.86 9.77 -12.53 0 4 0 52 384.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-phenyl…

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) 4.69 9.42 -11.25 0 5 0 62 414.255 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(Z)-2-chloro-3-phenyl-prop-2-enylidene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-phenyl…

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) 5.20 10.55 -11.87 0 4 0 52 418.674 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-cinnamylidene-oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-phenyl…

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) 4.86 10.02 -11.2 0 4 0 52 384.229 4 ↓

Analogs

33714702
33714702

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(3-bromo-4-methoxy-phenyl)-4-[(Z)-2-chloro-3-phenyl-prop-2-enylidene]oxazol-5-one (4Z)-2-(3-bromo-4-methoxy-phenyl…

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) 5.20 10.29 -11.95 0 4 0 52 418.674 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(m-tolyl)-4-[(E)-3-(4-nitrophenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(m-tolyl)-4-[(E)-3-(4-nit…

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) 4.45 10.62 -15.41 0 6 0 89 334.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(4-bromophenyl)-4-[(E)-3-(4-nitrophenyl)prop-2-enylidene]oxazol-5-one (4Z)-2-(4-bromophenyl)-4-[(E)-3-…

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) 4.84 10.58 -14.66 0 6 0 89 399.2 4 ↓

Parameters Provided:

ring.id = 74654
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 = 74654 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=74654&filter.purchasability=annotated

Embed Link to Results