UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15830188
15830188
15830190
15830190
15830192
15830192
15830194
15830194

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-9-benzyl-2-(2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-4-yl]-6-methoxy-phenol 2-[(4S)-9-benzyl-2-(2-hydroxyphe…

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) 3.80 9.18 -124.05 5 6 2 83 459.59 5 ↓
Hi High (pH 8-9.5) 3.80 9.88 -103.64 4 6 1 86 458.582 5 ↓
Hi High (pH 8-9.5) 3.80 8.18 -47.58 4 6 1 79 458.582 5 ↓

Analogs

15830188
15830188
15830190
15830190
15830192
15830192
15830194
15830194

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-9-benzyl-2-(2-hydroxyphenyl)-1,5,9-triazaspiro[5.5]undec-1-en-4-yl]-6-methoxy-phenol 2-[(4R)-9-benzyl-2-(2-hydroxyphe…

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) 3.80 9.11 -123.3 5 6 2 83 459.59 5 ↓
Hi High (pH 8-9.5) 3.80 9.86 -97.77 4 6 1 86 458.582 5 ↓
Hi High (pH 8-9.5) 3.80 7.97 -45.56 4 6 1 79 458.582 5 ↓

Parameters Provided:

ring.id = 12607
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 = 12607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12607&filter.purchasability=annotated

Embed Link to Results