UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11976218
11976218

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(1-BLAHylcarbonylethyl)benzamide 4-chloro-N-(1-BLAHylcarbonylethy…

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) 3.32 -2.2 -10.36 2 5 0 65 381.863 3 ↓

Analogs

11976213
11976213

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(1-BLAHylcarbonylethyl)benzamide 4-chloro-N-(1-BLAHylcarbonylethy…

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) 3.32 -2.17 -11.94 2 5 0 65 381.863 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-(BLAHylcarbonylmethyl)benzamide 2-fluoro-N-(BLAHylcarbonylmethyl…

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) 2.43 -1.91 -16.04 2 5 0 65 351.381 3 ↓

Analogs

9900291
9900291

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-(BLAHylcarbonylmethyl)benzamide 3,5-dimethyl-N-(BLAHylcarbonylme…

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) 3.14 -1.94 -13.24 2 5 0 65 361.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N-(BLAHylcarbonylmethyl)benzamide 3,4,5-trimethoxy-N-(BLAHylcarbon…

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) 1.94 -1.79 -15.99 2 8 0 93 423.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-(BLAHylcarbonylmethyl)benzamide 3,4-dimethyl-N-(BLAHylcarbonylme…

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) 3.14 -1.98 -13.56 2 5 0 65 361.445 3 ↓

Parameters Provided:

ring.id = 62970
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 = 62970 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=62970&filter.purchasability=annotated

Embed Link to Results