UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[cyanomethyl(cyclopropyl)amino]-N-cyclopropyl-N-methyl-acetamide 2-[cyanomethyl(cyclopropyl)amino…

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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) 0.21 3.72 -15.82 0 4 0 47 207.277 5 ↓
Mid Mid (pH 6-8) 0.21 6.41 -45.82 1 4 1 49 208.285 5 ↓

Analogs

44646962
44646962
44646964
44646964

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Popular Name: N-cyclopropyl-2-[cyclopropyl(isopropyl)amino]-N-methyl-acetamide N-cyclopropyl-2-[cyclopropyl(iso…

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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) 1.10 6.75 -32.86 1 3 1 25 211.329 5 ↓

Analogs

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Popular Name: 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopropyl-N-ethyl-acetamide 2-[3-aminopropyl(cyclopropyl)ami…

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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) -0.12 3.54 -43.98 3 4 1 51 240.371 8 ↓
Mid Mid (pH 6-8) -0.12 5.17 -33.2 3 4 1 51 240.371 8 ↓

Analogs

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Popular Name: 2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopropyl-N-methyl-acetamide 2-[3-aminopropyl(cyclopropyl)ami…

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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) -0.50 2.76 -43.6 3 4 1 51 226.344 7 ↓
Mid Mid (pH 6-8) -0.50 4.37 -34.11 3 4 1 51 226.344 7 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]amino]propanoic 3-[cyclopropyl-[2-[cyclopropyl(m…

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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) -0.06 7.29 -51.44 1 5 0 65 240.303 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[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) -0.87 7.29 -38.6 1 5 0 65 240.303 7 ↓

Analogs

48023141
48023141

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Popular Name: N-cyclopropyl-2-(cyclopropylamino)-N-(2-methoxyethyl)acetamide N-cyclopropyl-2-(cyclopropylamin…

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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) 0.16 4.74 -37.28 2 4 1 46 213.301 7 ↓
Hi High (pH 8-9.5) 0.16 3.45 -9.29 1 4 0 42 212.293 7 ↓

Analogs

48695471
48695471
49572871
49572871
49900122
49900122
50066771
50066771
35140510
35140510

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Popular Name: ethyl ethyl

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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) 0.42 6.17 -41.23 2 5 1 63 241.311 8 ↓
Hi High (pH 8-9.5) 0.42 4.88 -11.42 1 5 0 59 240.303 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.92 5.86 -37.61 2 5 1 60 241.311 8 ↓
Mid Mid (pH 6-8) 0.92 3.9 -11.31 1 5 0 59 240.303 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.04 8.33 -37.03 1 5 1 51 269.365 9 ↓
Mid Mid (pH 6-8) 1.04 6.28 -11.48 0 5 0 50 268.357 9 ↓

Parameters Provided:

ring.id = 206220
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 = 206220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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