UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[cyclopentyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide 2-[cyclopentyl-[2-oxo-2-[[4-(tri…

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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) 2.31 4.8 -35.35 4 5 1 77 350.405 7 ↓
Hi High (pH 8-9.5) 2.31 2.79 -9.63 3 5 0 75 349.397 7 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-(cyclopentylamino)-N-[(1S,2R,4…

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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) 3.26 7.28 -39.27 3 3 1 46 253.41 4 ↓
Hi High (pH 8-9.5) 3.26 6.07 -5.97 2 3 0 41 252.402 4 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-(cyclopentylamino)-N-[(1S,2R,4…

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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) 3.26 6.49 -39.08 3 3 1 46 253.41 4 ↓
Hi High (pH 8-9.5) 3.26 5.28 -6.49 2 3 0 41 252.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopentylamino)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-(cyclopentylamino)-N-[(1R,2R,4…

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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) 3.26 6.89 -39.29 3 3 1 46 253.41 4 ↓
Hi High (pH 8-9.5) 3.26 5.69 -6.52 2 3 0 41 252.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopentylamino)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-(cyclopentylamino)-N-[(1R,2R,4…

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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) 3.26 6.66 -39.41 3 3 1 46 253.41 4 ↓
Hi High (pH 8-9.5) 3.26 5.45 -6.63 2 3 0 41 252.402 4 ↓

Analogs

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Popular Name: (2S)-2-[3-aminopropyl(cyclopentyl)amino]-N-cyclohexyl-propanamide (2S)-2-[3-aminopropyl(cyclopenty…

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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) 2.16 3.6 -51.78 4 4 1 60 296.479 7 ↓
Hi High (pH 8-9.5) 2.16 5.44 -31.32 4 4 1 60 296.479 7 ↓

Analogs

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Popular Name: (2R)-2-[3-aminopropyl(cyclopentyl)amino]-N-cyclohexyl-propanamide (2R)-2-[3-aminopropyl(cyclopenty…

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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) 2.16 3.94 -51.48 4 4 1 60 296.479 7 ↓
Hi High (pH 8-9.5) 2.16 5.48 -33.91 4 4 1 60 296.479 7 ↓

Analogs

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Popular Name: 2-[3-aminopropyl(cyclopentyl)amino]-N-cyclohexyl-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) 2.33 3.62 -51.37 4 4 1 60 282.452 7 ↓
Mid Mid (pH 6-8) 2.33 5.08 -36.5 4 4 1 60 282.452 7 ↓

Analogs

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Popular Name: 2-[[2-(cyclohexylamino)-2-oxo-ethyl]-cyclopentyl-amino]acetic 2-[[2-(cyclohexylamino)-2-oxo-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) 1.59 7.58 -28.48 2 5 0 74 282.384 6 ↓

Analogs

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Popular Name: 2-[[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-cyclopentyl-amino]acetic 2-[[2-[cyclohexyl(methyl)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) 1.33 9.34 -27.76 1 5 0 65 296.411 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[[(1S,2R)-2-me…

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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) 1.83 8.93 -28.49 2 5 0 74 296.411 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[[(1S,2S)-2-me…

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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) 1.83 8.44 -28.17 2 5 0 74 296.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[[(1R,2R)-2-me…

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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) 1.83 8.44 -28.22 2 5 0 74 296.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[[(1R,2S)-2-me…

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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) 1.83 8.84 -28.02 2 5 0 74 296.411 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[(4-methylcycl…

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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) 1.36 8.19 -28.13 2 5 0 74 296.411 6 ↓

Analogs

42581880
42581880

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Popular Name: 2-(cyclopentylamino)-N-(4-propylcyclohexyl)acetamide 2-(cyclopentylamino)-N-(4-propyl…

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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) 4.03 7.43 -39.15 3 3 1 46 267.437 6 ↓
Hi High (pH 8-9.5) 4.03 6.23 -6.63 2 3 0 41 266.429 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 24942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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