UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37779760
37779760
49340761
49340761
49340762
49340762
49341410
49341410

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(cyclohexylmethylamino)-N-cyclopropyl-benzamide 4-(cyclohexylmethylamino)-N-cycl…

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) 3.64 7.5 -8.13 2 3 0 41 272.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 4.64 8.09 -8.28 2 3 0 41 286.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 4.64 8.08 -8.28 2 3 0 41 286.419 5 ↓

Parameters Provided:

ring.id = 128292
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 = 128292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=128292&filter.purchasability=annotated

Embed Link to Results