UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R,5S)-6,6-dimethylnorpinan-2-yl]methyl]-2-(3-nitrophenoxy)pyridine-3-carboxamide N-[[(1S,2R,5S)-6,6-dimethylnorpi…

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) 4.68 10.36 -17.52 1 7 0 97 395.459 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R,5S)-6,6-dimethylnorpinan-2-yl]methyl]-2-(4-methylphenoxy)pyridine-3-carboxamide N-[[(1S,2R,5S)-6,6-dimethylnorpi…

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) 5.19 10.28 -15.21 1 4 0 51 364.489 5 ↓

Analogs

58357408
58357408
91178
91178
52206
52206

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R,5S)-6,6-dimethylnorpinan-2-yl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide N-[[(1S,2R,5S)-6,6-dimethylnorpi…

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) 4.91 9.71 -13.32 1 4 0 51 368.452 5 ↓

Analogs

41849158
41849158
48353846
48353846
57498617
57498617
6218637
6218637
91178
91178

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R,5S)-6,6-dimethylnorpinan-2-yl]methyl]-2-(2,4-dimethylphenoxy)pyridine-3-carboxamide N-[[(1S,2R,5S)-6,6-dimethylnorpi…

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) 5.57 10.92 -15.02 1 4 0 51 378.516 5 ↓

Parameters Provided:

ring.id = 599930
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 = 599930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=599930&filter.purchasability=annotated

Embed Link to Results