UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42777886
42777886
42777888
42777888
42777892
42777892
42777894
42777894
42777969
42777969

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Popular Name: N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-aniline N-cyclopropyl-2-[(cyclopropylami…

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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) 2.80 9.42 -34.26 2 2 1 20 249.353 6 ↓

Analogs

42777886
42777886
42777888
42777888
42777892
42777892
42777894
42777894
42777969
42777969

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-aniline N-cyclopropyl-2-[(cyclopropylami…

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) 2.42 8.52 -35.13 2 2 1 20 235.326 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(cyclopropylamino)methyl]-4-fluoro-N-propyl-aniline N-cyclopropyl-2-[(cyclopropylami…

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) 3.30 10.17 -34.31 2 2 1 20 263.38 7 ↓

Analogs

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Popular Name: 2-[3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]anilino]ethanol 2-[3-chloro-N-cyclopropyl-2-[(cy…

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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) 2.28 6.75 -29.84 3 3 1 40 281.807 7 ↓

Parameters Provided:

ring.id = 551094
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 = 551094 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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