UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethyl-thiadiazol-5-amine 4-[[cyclopropylmethyl(ethyl)amin…

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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) 2.18 5.48 -35.37 2 4 1 42 241.384 7 ↓
Hi High (pH 8-9.5) 2.18 3.25 -7.02 1 4 0 41 240.376 7 ↓

Analogs

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Popular Name: 4-[[cyclopropylmethyl(ethyl)amino]methyl]thiadiazol-5-amine 4-[[cyclopropylmethyl(ethyl)amin…

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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) 1.43 3.36 -38.75 3 4 1 56 213.33 5 ↓
Hi High (pH 8-9.5) 1.43 1.25 -6.7 2 4 0 55 212.322 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-thiadiazol-5-amine 4-[[cyclopropylmethyl(ethyl)amin…

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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) 1.80 4.39 -37.66 2 4 1 42 227.357 6 ↓
Hi High (pH 8-9.5) 1.80 2.28 -6.66 1 4 0 41 226.349 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[(5-hydrazinothiadiazol-4-yl)methyl]ethanamine N-(cyclopropylmethyl)-N-[(5-hydr…

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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) 1.19 3.14 -39.46 4 5 1 68 228.345 6 ↓
Hi High (pH 8-9.5) 1.19 1.04 -7.32 3 5 0 67 227.337 6 ↓
Lo Low (pH 4.5-6) 1.19 2.97 -117.63 5 5 2 70 229.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclopropylmethyl(ethyl)amino]methyl]-N-propyl-thiadiazol-5-amine 4-[[cyclopropylmethyl(ethyl)amin…

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) 2.68 6.24 -35.7 2 4 1 42 255.411 8 ↓
Hi High (pH 8-9.5) 2.68 3.99 -6.71 1 4 0 41 254.403 8 ↓

Analogs

70650069
70650069

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Popular Name: N-[(5-chlorothiadiazol-4-yl)methyl]-N-(cyclopropylmethyl)propan-2-amine N-[(5-chlorothiadiazol-4-yl)meth…

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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) 2.92 6.17 -30.8 1 3 1 30 246.787 5 ↓
Hi High (pH 8-9.5) 2.92 4.27 -3.64 0 3 0 29 245.779 5 ↓

Parameters Provided:

ring.id = 260493
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 = 260493 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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