UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(1,3,4-t…

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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) 1.96 4.91 -35.39 2 3 1 42 212.342 6 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(1,3,4-t…

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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) 1.96 4.85 -41.42 2 3 1 42 212.342 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(1,3,4-thiadiazol-2-yl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(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) 1.46 4.14 -34.83 2 3 1 42 198.315 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(1,3,4-thiadiazol-2-yl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(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) 1.46 4.09 -40.72 2 3 1 42 198.315 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(1,3,4-thiadiazol-2-yl)ethanamine (1S)-1-cyclopropyl-N-methyl-2-(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) 1.08 3.31 -35.82 2 3 1 42 184.288 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(1,3,4-thiadiazol-2-yl)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(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) 1.08 3.26 -42.49 2 3 1 42 184.288 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanamine (1S)-1-cyclopropyl-2-(1,3,4-thia…

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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) 0.17 1.83 -40.05 3 3 1 53 170.261 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanamine (1R)-1-cyclopropyl-2-(1,3,4-thia…

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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) 0.17 1.8 -46.7 3 3 1 53 170.261 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanol (1S)-1-cyclopropyl-2-(1,3,4-thia…

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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) 0.67 1 -9.2 1 3 0 46 170.237 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanol (1R)-1-cyclopropyl-2-(1,3,4-thia…

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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) 0.67 1 -9.64 1 3 0 46 170.237 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-chloro-2-cyclopropyl-ethyl]-1,3,4-thiadiazole 2-[(2S)-2-chloro-2-cyclopropyl-e…

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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 4.68 -9.47 0 2 0 26 188.683 3 ↓

Analogs

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Popular Name: 2-[(2R)-2-chloro-2-cyclopropyl-ethyl]-1,3,4-thiadiazole 2-[(2R)-2-chloro-2-cyclopropyl-e…

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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 4.67 -7.06 0 2 0 26 188.683 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-bromo-2-cyclopropyl-ethyl]-1,3,4-thiadiazole 2-[(2S)-2-bromo-2-cyclopropyl-et…

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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) 2.04 4.77 -8.92 0 2 0 26 233.134 3 ↓

Analogs

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Popular Name: 2-[(2R)-2-bromo-2-cyclopropyl-ethyl]-1,3,4-thiadiazole 2-[(2R)-2-bromo-2-cyclopropyl-et…

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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) 2.04 4.72 -6.87 0 2 0 26 233.134 3 ↓

Parameters Provided:

ring.id = 507225
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 = 507225 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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