UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12058736
12058736
12058738
12058738
19838299
19838299

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Popular Name: N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-1-ethyl-piperidin-4-amine N-[(1S)-1-[2-(azocan-1-yl)-4-met…

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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) 4.01 12.05 -37.61 2 5 1 45 360.57 5 ↓
Mid Mid (pH 6-8) 4.01 10.62 -41.73 2 5 1 49 360.57 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-1-ethyl-piperidin-4-amine N-[(1R)-1-[2-(azocan-1-yl)-4-met…

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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) 4.01 11.84 -36.68 2 5 1 45 360.57 5 ↓
Mid Mid (pH 6-8) 4.01 10.55 -41.43 2 5 1 49 360.57 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-1-propyl-piperidin-4-amine N-[(1S)-1-[2-(azocan-1-yl)-4-met…

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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) 4.51 12.78 -38.21 2 5 1 45 374.597 6 ↓
Mid Mid (pH 6-8) 4.51 11.37 -41.75 2 5 1 49 374.597 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-1-propyl-piperidin-4-amine N-[(1R)-1-[2-(azocan-1-yl)-4-met…

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) 4.51 12.6 -37.34 2 5 1 45 374.597 6 ↓
Mid Mid (pH 6-8) 4.51 11.32 -41.46 2 5 1 49 374.597 6 ↓

Parameters Provided:

ring.id = 61233
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 = 61233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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