UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14252175
14252175
14252178
14252178
14252181
14252181
30925930
30925930
30925935
30925935

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[[4-[(1S,2R)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol- N-benzyl-N-[(1S)-1-cyclopropylet…

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) 5.52 14.38 -11.84 0 6 0 64 489.689 9 ↓

Analogs

14252178
14252178
14252181
14252181
30925930
30925930
30925935
30925935
14252172
14252172

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[[4-[(1S,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol- N-benzyl-N-[(1S)-1-cyclopropylet…

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) 5.52 15.99 -12.99 0 6 0 64 489.689 9 ↓

Analogs

14252181
14252181
30925930
30925930
30925935
30925935
14252172
14252172
14252175
14252175

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[[4-[(1R,2R)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol- N-benzyl-N-[(1S)-1-cyclopropylet…

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) 5.52 16.49 -12.71 0 6 0 64 489.689 9 ↓

Analogs

30925930
30925930
30925935
30925935
14252172
14252172
14252175
14252175
14252178
14252178

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[[4-[(1R,2S)-2-methylcyclohexyl]-5-(3-pyridyl)-1,2,4-triazol- N-benzyl-N-[(1S)-1-cyclopropylet…

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) 5.52 14.38 -11.89 0 6 0 64 489.689 9 ↓

Parameters Provided:

ring.id = 241582
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 = 241582 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=241582&filter.purchasability=annotated

Embed Link to Results