UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-cyclopropyl-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanamine (R)-cyclopropyl-[5-(2-propoxyeth…

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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) -0.56 1.56 -41.83 3 5 1 76 226.3 7 ↓

Analogs

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Popular Name: (S)-cyclopropyl-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanamine (S)-cyclopropyl-[5-(2-propoxyeth…

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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) -0.56 1.75 -42.28 3 5 1 76 226.3 7 ↓

Analogs

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Popular Name: (R)-cyclopropyl-[5-[(1R)-1,2-dimethylpropyl]-1,2,4-oxadiazol-3-yl]methanamine (R)-cyclopropyl-[5-[(1R)-1,2-dim…

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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) 0.02 2.44 -39.98 3 4 1 67 210.301 4 ↓

Analogs

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Popular Name: (R)-cyclopropyl-[5-[(1S)-1,2-dimethylpropyl]-1,2,4-oxadiazol-3-yl]methanamine (R)-cyclopropyl-[5-[(1S)-1,2-dim…

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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) 0.02 2.61 -40.91 3 4 1 67 210.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclopropyl-[5-[(1R)-1,2-dimethylpropyl]-1,2,4-oxadiazol-3-yl]methanamine (S)-cyclopropyl-[5-[(1R)-1,2-dim…

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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) 0.02 2.63 -40.89 3 4 1 67 210.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclopropyl-[5-[(1S)-1,2-dimethylpropyl]-1,2,4-oxadiazol-3-yl]methanamine (S)-cyclopropyl-[5-[(1S)-1,2-dim…

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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) 0.02 2.63 -40.69 3 4 1 67 210.301 4 ↓

Analogs

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Popular Name: (R)-cyclopropyl-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]methanamine (R)-cyclopropyl-[5-(methylsulfon…

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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) -2.23 -2.51 -51.66 3 6 1 101 232.285 4 ↓

Analogs

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Popular Name: (S)-cyclopropyl-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]methanamine (S)-cyclopropyl-[5-(methylsulfon…

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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) -2.23 -2.33 -55.46 3 6 1 101 232.285 4 ↓

Analogs

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Popular Name: (R)-cyclopropyl-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanamine (R)-cyclopropyl-[5-(methylsulfan…

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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) -1.11 1.15 -41.49 3 4 1 67 200.287 4 ↓

Analogs

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Popular Name: (S)-cyclopropyl-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanamine (S)-cyclopropyl-[5-(methylsulfan…

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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) -1.11 1.34 -43.55 3 4 1 67 200.287 4 ↓

Analogs

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Popular Name: (R)-cyclopropyl-[5-(2-methylsulfanylethyl)-1,2,4-oxadiazol-3-yl]methanamine (R)-cyclopropyl-[5-(2-methylsulf…

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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) -0.90 1.95 -42.14 3 4 1 67 214.314 5 ↓

Analogs

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Popular Name: (S)-cyclopropyl-[5-(2-methylsulfanylethyl)-1,2,4-oxadiazol-3-yl]methanamine (S)-cyclopropyl-[5-(2-methylsulf…

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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) -0.90 2.14 -42.48 3 4 1 67 214.314 5 ↓

Analogs

36764594
36764594

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Popular Name: (R)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-cyclopropyl-methanamine (R)-(5-tert-butyl-1,2,4-oxadiazo…

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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) 0.10 1.85 -40.11 3 4 1 67 196.274 3 ↓

Analogs

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Popular Name: (S)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-cyclopropyl-methanamine (S)-(5-tert-butyl-1,2,4-oxadiazo…

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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) 0.10 2.04 -40.83 3 4 1 67 196.274 3 ↓

Parameters Provided:

ring.id = 125798
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 = 125798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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