UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814804
11814804
55036353
55036353
55036355
55036355

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Popular Name: (5S)-2-(5-isoquinolylmethyl)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decane (5S)-2-(5-isoquinolylmethyl)-9-(…

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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) 4.26 1.9 -114.27 2 3 2 22 387.571 4 ↓

Analogs

55036353
55036353
55036355
55036355
11814802
11814802

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(5-isoquinolylmethyl)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decane (5R)-2-(5-isoquinolylmethyl)-9-(…

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) 4.26 1.57 -120.15 2 3 2 22 387.571 4 ↓

Analogs

11814802
11814802
11814804
11814804

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-(5-isoquinolylmethyl)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decane (5S)-2-(5-isoquinolylmethyl)-9-(…

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) 4.26 12.53 -40.35 1 3 1 21 386.563 4 ↓
Hi High (pH 8-9.5) 4.26 10.41 -5.95 0 3 0 19 385.555 4 ↓
Lo Low (pH 4.5-6) 4.26 13 -82.92 2 3 2 22 387.571 4 ↓

Analogs

11814802
11814802
11814804
11814804

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(5-isoquinolylmethyl)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decane (5R)-2-(5-isoquinolylmethyl)-9-(…

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) 4.26 12.42 -39.35 1 3 1 21 386.563 4 ↓
Hi High (pH 8-9.5) 4.26 10.53 -5.58 0 3 0 19 385.555 4 ↓
Lo Low (pH 4.5-6) 4.26 12.89 -85.85 2 3 2 22 387.571 4 ↓

Parameters Provided:

ring.id = 47655
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 = 47655 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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