UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37779696
37779696
37779697
37779697
37779700
37779700
37779818
37779818
37779830
37779830

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1S)-1-(1-methylcyclopropyl)ethyl]amino]benzamide N-cyclopropyl-4-[[(1S)-1-(1-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) 3.18 6.93 -8.28 2 3 0 41 258.365 5 ↓

Analogs

37779696
37779696
37779697
37779697
37779818
37779818
37779830
37779830
37779831
37779831

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]benzamide N-cyclopropyl-4-[[(1R)-1-(1-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) 3.18 6.92 -8.27 2 3 0 41 258.365 5 ↓

Analogs

37779696
37779696
37779697
37779697
37779700
37779700
37779830
37779830
37779831
37779831

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1S)-1-cyclopropylethyl]amino]benzamide N-cyclopropyl-4-[[(1S)-1-cyclopr…

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) 3.22 6.28 -8.4 2 3 0 41 244.338 5 ↓

Analogs

37779696
37779696
37779697
37779697
37779700
37779700
37779830
37779830
37779831
37779831

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-[[(1R)-1-cyclopropylethyl]amino]benzamide N-cyclopropyl-4-[[(1R)-1-cyclopr…

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) 3.22 6.28 -8.41 2 3 0 41 244.338 5 ↓

Analogs

37779818
37779818
37779824
37779824
37779825
37779825
49340908
49340908
49340909
49340909

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-(cyclopropylmethylamino)benzamide N-cyclopropyl-4-(cyclopropylmeth…

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) 2.22 5.68 -8.31 2 3 0 41 230.311 5 ↓

Parameters Provided:

ring.id = 128305
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 = 128305 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=128305&filter.purchasability=annotated

Embed Link to Results