UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16958951
16958951
33700371
33700371
33700647
33700647
34954131
34954131
34954139
34954139

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Popular Name: [4-[(Z)-3-oxo-3-phenyl-prop-1-enyl]phenyl] [4-[(Z)-3-oxo-3-phenyl-prop-1-en…

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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) 5.56 13.83 -15.68 0 4 0 53 384.431 8 ↓

Analogs

16958951
16958951
33700371
33700371
33700647
33700647
34954131
34954131
34954139
34954139

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-3-oxo-3-phenyl-prop-1-enyl]phenyl] [4-[(Z)-3-oxo-3-phenyl-prop-1-en…

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) 5.56 13.99 -14.13 0 4 0 53 384.431 8 ↓

Analogs

33700371
33700371
34954139
34954139
34954349
34954349
5204434
5204434
4114054
4114054

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Popular Name: [4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl] [4-[(E)-3-oxo-3-phenyl-prop-1-en…

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) 5.56 13.82 -14.4 0 4 0 53 384.431 8 ↓

Analogs

33700371
33700371
33700378
33700378
4118301
4118301

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl] [4-[(E)-3-oxo-3-phenyl-prop-1-en…

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) 5.56 13.99 -13.47 0 4 0 53 384.431 8 ↓

Analogs

33700371
33700371
33700378
33700378
34956425
34956425
4118301
4118301

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-3-oxo-3-phenyl-prop-1-enyl]phenyl] [4-[(Z)-3-oxo-3-phenyl-prop-1-en…

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) 5.50 14.58 -13.84 0 3 0 43 354.405 7 ↓

Analogs

33700378
33700378
33700647
33700647
34954131
34954131
34956425
34956425

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-3-oxo-3-phenyl-prop-1-enyl]phenyl] [4-[(Z)-3-oxo-3-phenyl-prop-1-en…

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) 5.50 14.7 -12.95 0 3 0 43 354.405 7 ↓

Parameters Provided:

ring.id = 135205
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 = 135205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=135205&filter.purchasability=annotated

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