UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36778328
36778328

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Popular Name: 1-amino-N-isopropyl-N-(2-pyridylmethyl)cyclopentanecarboxamide 1-amino-N-isopropyl-N-(2-pyridyl…

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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) 1.45 5.41 -45.88 3 4 1 61 262.377 4 ↓
Hi High (pH 8-9.5) 1.45 5.29 -7.47 2 4 0 59 261.369 4 ↓
Lo Low (pH 4.5-6) 1.45 5.88 -112.7 4 4 2 62 263.385 4 ↓

Analogs

36778328
36778328

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-(2-methoxyethyl)-N-(2-pyridylmethyl)cyclopentanecarboxamide 1-amino-N-(2-methoxyethyl)-N-(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) 0.76 4.52 -48.78 3 5 1 70 278.376 6 ↓
Mid Mid (pH 6-8) 0.76 3.7 -10.68 2 5 0 68 277.368 6 ↓
Lo Low (pH 4.5-6) 0.76 5.46 -86.73 4 5 2 71 279.384 6 ↓

Parameters Provided:

ring.id = 577771
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 = 577771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=577771&filter.purchasability=annotated

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