UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopropanamine (1R)-2,2-dimethyl-N-[(4-methyl-1…

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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) 1.34 3.92 -48.59 2 4 1 56 182.247 3 ↓

Analogs

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Popular Name: (1S)-2,2-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopropanamine (1S)-2,2-dimethyl-N-[(4-methyl-1…

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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) 1.34 3.92 -48.59 2 4 1 56 182.247 3 ↓

Analogs

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Popular Name: (1R,2S)-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopropanamine (1R,2S)-2-methyl-N-[(4-methyl-1,…

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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) 1.39 3.43 -48.51 2 4 1 56 168.22 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopropanamine (1S,2S)-2-methyl-N-[(4-methyl-1,…

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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) 1.39 3.18 -48.82 2 4 1 56 168.22 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopropanamine (1R,2R)-2-methyl-N-[(4-methyl-1,…

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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) 1.39 3.18 -48.95 2 4 1 56 168.22 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopropanamine (1S,2R)-2-methyl-N-[(4-methyl-1,…

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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) 1.39 3.42 -48.08 2 4 1 56 168.22 3 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]propanoic 3-[cyclopropyl-[(4-methyl-1,2,5-…

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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) 0.54 5.75 -61.25 1 6 0 83 225.248 6 ↓
Hi High (pH 8-9.5) 0.54 3.69 -53.88 0 6 -1 82 224.24 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetic 2-[cyclopropyl-[(4-methyl-1,2,5-…

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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) -0.64 5.06 -43.22 1 6 0 83 211.221 5 ↓
Hi High (pH 8-9.5) -0.64 2.87 -52.47 0 6 -1 82 210.213 5 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]ethanol 2-[cyclopropyl-[(4-methyl-1,2,5-…

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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) 0.39 1.83 -42.87 2 5 1 64 198.246 5 ↓
Hi High (pH 8-9.5) 0.39 -0.48 -9.17 1 5 0 62 197.238 5 ↓

Parameters Provided:

ring.id = 460295
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 = 460295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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