UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(1S,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-(2,6-dimethylphenyl)-1-sulfanyl-formamidine N-[[(1S,5R)-6-bicyclo[3.2.0]hept…

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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) 2.65 10.48 -10.18 2 3 0 36 285.416 4 ↓
Hi High (pH 8-9.5) 4.26 9.86 -45.28 1 3 -1 37 284.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-(2,6-dimethylphenyl)-1-sulfanyl-formamidine N-[[(1R,5R)-6-bicyclo[3.2.0]hept…

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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) 2.65 10.45 -10.32 2 3 0 36 285.416 4 ↓
Hi High (pH 8-9.5) 4.26 9.81 -46.11 1 3 -1 37 284.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-(2,6-dimethylphenyl)-1-sulfanyl-formamidine N-[[(1S,5S)-6-bicyclo[3.2.0]hept…

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) 2.65 10.46 -10.3 2 3 0 36 285.416 4 ↓
Hi High (pH 8-9.5) 4.26 9.82 -46.07 1 3 -1 37 284.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-(2,6-dimethylphenyl)-1-sulfanyl-formamidine N-[[(1R,5S)-6-bicyclo[3.2.0]hept…

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) 2.65 10.46 -10.17 2 3 0 36 285.416 4 ↓
Hi High (pH 8-9.5) 4.26 9.85 -45.31 1 3 -1 37 284.408 3 ↓

Parameters Provided:

ring.id = 226178
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 = 226178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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