UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[3-aminopropyl(cyclopentyl)amino]-N-cyclopentyl-acetamide 2-[3-aminopropyl(cyclopentyl)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) 1.82 3.12 -51.37 4 4 1 60 268.425 7 ↓
Mid Mid (pH 6-8) 1.82 4.57 -36.48 4 4 1 60 268.425 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[(1S)-2-(cyclopen…

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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) 0.91 7.44 -33.94 2 5 0 74 282.384 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[(1R)-2-(cyclopen…

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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) 0.91 7.48 -28.65 2 5 0 74 282.384 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-(cyclopentylamino)-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-(cyclopentylam…

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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 7.08 -28.59 2 5 0 74 268.357 6 ↓

Analogs

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Popular Name: N-allyl-N-cyclopentyl-2-(cyclopentylamino)acetamide N-allyl-N-cyclopentyl-2-(cyclope…

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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) 2.89 8.08 -37.4 2 3 1 37 251.394 6 ↓
Hi High (pH 8-9.5) 2.89 6.88 -5.62 1 3 0 32 250.386 6 ↓

Analogs

44650630
44650630
44650631
44650631
35649843
35649843
35773175
35773175

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Popular Name: N-cyclopentyl-2-(cyclopentylamino)-N-(2-hydroxyethyl)acetamide N-cyclopentyl-2-(cyclopentylamin…

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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) 1.62 3.6 -35.45 3 4 1 57 255.382 6 ↓
Hi High (pH 8-9.5) 1.62 2.99 -7.4 2 4 0 53 254.374 6 ↓

Analogs

47274333
47274333
47966799
47966799
48951980
48951980
49307933
49307933
35764864
35764864

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Popular Name: N-cyclopentyl-2-(cyclopentylamino)-N-(2-dimethylaminoethyl)acetamide N-cyclopentyl-2-(cyclopentylamin…

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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) 2.28 8.64 -90.25 3 4 2 41 283.46 7 ↓
Hi High (pH 8-9.5) 2.28 7.42 -35.04 2 4 1 37 282.452 7 ↓

Parameters Provided:

ring.id = 559577
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 = 559577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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