UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[(1S)-2-(cyclopentylamino)-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) -0.12 6.22 -26.76 2 5 0 74 254.33 6 ↓

Analogs

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Popular Name: 2-[[(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[(1R)-2-(cyclopentylamino)-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) -0.12 6.31 -37.32 2 5 0 74 254.33 6 ↓

Analogs

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Popular Name: 2-[[2-(cyclopentylamino)-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-(cyclopentylamino)-2-oxo-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) 0.05 6.17 -29.21 2 5 0 74 240.303 6 ↓
Hi High (pH 8-9.5) 0.05 4.33 -49.28 1 5 -1 72 239.295 6 ↓

Analogs

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Popular Name: N-allyl-N-cyclopentyl-2-(cyclopropylamino)acetamide N-allyl-N-cyclopentyl-2-(cyclopr…

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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) 1.86 6.7 -37.64 2 3 1 37 223.34 6 ↓
Hi High (pH 8-9.5) 1.86 5.6 -6.2 1 3 0 32 222.332 6 ↓

Analogs

40539625
40539625
40539627
40539627
44650630
44650630
44650631
44650631
49824967
49824967

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Popular Name: N-cyclopentyl-2-(cyclopropylamino)-N-(2-hydroxyethyl)acetamide N-cyclopentyl-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) 0.58 3.3 -32.94 3 4 1 57 227.328 6 ↓
Hi High (pH 8-9.5) 0.58 2.02 -8.58 2 4 0 53 226.32 6 ↓

Analogs

47550082
47550082
47550241
47550241
48951980
48951980
49307933
49307933
7760711
7760711

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Popular Name: N-cyclopentyl-2-(cyclopropylamino)-N-(2-dimethylaminoethyl)acetamide N-cyclopentyl-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) 1.24 7.43 -87.64 3 4 2 41 255.406 7 ↓
Hi High (pH 8-9.5) 1.24 6.14 -35.61 2 4 1 37 254.398 7 ↓

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) 1.95 7.22 -36.41 2 5 1 60 269.365 8 ↓
Mid Mid (pH 6-8) 1.95 5.38 -11.05 1 5 0 59 268.357 8 ↓

Parameters Provided:

ring.id = 206200
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 = 206200 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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