UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[2-chloro-6-(3,3-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine N-[[2-chloro-6-(3,3-dimethylmorp…

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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) 3.20 8 -30.69 2 3 1 29 295.834 4 ↓

Analogs

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Popular Name: N-[[2-(3,3-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine N-[[2-(3,3-dimethylmorpholin-4-y…

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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) 2.57 7.53 -34.05 2 3 1 29 261.389 4 ↓

Analogs

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Popular Name: N-[[4-bromo-2-(3,3-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine N-[[4-bromo-2-(3,3-dimethylmorph…

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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) 3.36 8.14 -38.57 2 3 1 29 340.285 4 ↓

Analogs

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Popular Name: N-[[2-(3,3-dimethylmorpholin-4-yl)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(3,3-dimethylmorpholin-4-y…

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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) 2.71 7.59 -36.77 2 3 1 29 279.379 4 ↓

Analogs

42459946
42459946
42459948
42459948
42459950
42459950
42777612
42777612
42777614
42777614

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Popular Name: N-[(5-fluoro-2-morpholino-phenyl)methyl]cyclopropanamine N-[(5-fluoro-2-morpholino-phenyl…

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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) 1.90 6.76 -37.03 2 3 1 29 251.325 4 ↓

Analogs

42459950
42459950

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Popular Name: N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-[(2S,6R)-2,6-dimethylmorph…

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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) 2.63 8.24 -37.59 2 3 1 29 279.379 4 ↓

Analogs

42459950
42459950

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Popular Name: N-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-[(2S,6S)-2,6-dimethylmorph…

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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) 2.63 8.28 -37.46 2 3 1 29 279.379 4 ↓

Analogs

42459950
42459950

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-[(2R,6R)-2,6-dimethylmorph…

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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) 2.63 8.27 -37.39 2 3 1 29 279.379 4 ↓

Analogs

42459950
42459950

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Popular Name: N-[[5-fluoro-2-[(2R)-2-methylmorpholin-4-yl]phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-[(2R)-2-methylmor…

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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) 2.27 7.51 -37.25 2 3 1 29 265.352 4 ↓

Analogs

42459950
42459950

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-fluoro-2-[(2S)-2-methylmorpholin-4-yl]phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-[(2S)-2-methylmor…

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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) 2.27 7.43 -37.42 2 3 1 29 265.352 4 ↓

Parameters Provided:

ring.id = 541503
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 = 541503 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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