UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23360772
23360772
36789278
36789278
36790938
36790938
36790939
36790939
37083491
37083491

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Popular Name: 2-[(3R)-1-indan-2-yl-3-piperidyl]-3,4-dihydro-1H-isoquinoline 2-[(3R)-1-indan-2-yl-3-piperidyl…

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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) 3.94 12.17 -40.98 1 2 1 8 333.499 2 ↓
Hi High (pH 8-9.5) 3.94 10.02 -3.8 0 2 0 6 332.491 2 ↓
Lo Low (pH 4.5-6) 3.94 14.4 -123.39 2 2 2 9 334.507 2 ↓

Analogs

36789278
36789278
36790938
36790938
36790939
36790939
37083491
37083491
37083492
37083492

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-indan-2-yl-3-piperidyl]-3,4-dihydro-1H-isoquinoline 2-[(3S)-1-indan-2-yl-3-piperidyl…

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) 3.94 12.01 -41.13 1 2 1 8 333.499 2 ↓
Hi High (pH 8-9.5) 3.94 9.88 -3.48 0 2 0 6 332.491 2 ↓
Lo Low (pH 4.5-6) 3.94 14.41 -123.21 2 2 2 9 334.507 2 ↓

Parameters Provided:

ring.id = 139280
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 = 139280 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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