UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44723211
44723211
44723214
44723214
44723217
44723217
44723220
44723220

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Popular Name: (2S)-2-[3-aminopropyl(cyclopentyl)amino]-N-(2-furylmethyl)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) 0.91 2.51 -52.35 4 5 1 73 294.419 8 ↓
Hi High (pH 8-9.5) 0.91 3.93 -34.04 4 5 1 73 294.419 8 ↓

Analogs

44723211
44723211
44723214
44723214
44723217
44723217
44723220
44723220

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Popular Name: (2R)-2-[3-aminopropyl(cyclopentyl)amino]-N-(2-furylmethyl)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) 0.91 2.3 -52.57 4 5 1 73 294.419 8 ↓
Hi High (pH 8-9.5) 0.91 3.85 -34.33 4 5 1 73 294.419 8 ↓

Analogs

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

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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) 0.17 6.54 -29.59 2 6 0 87 294.351 7 ↓

Analogs

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

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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) 0.17 6.42 -28.87 2 6 0 87 294.351 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-(2-furylmethylamino)-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-(2-furylmethyl…

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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) 0.34 6.02 -29.2 2 6 0 87 280.324 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[[(1S)-1-(2-fu…

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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) 0.90 6.92 -30.18 2 6 0 87 294.351 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[[(1R)-1-(2-fu…

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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) 0.90 6.84 -28.78 2 6 0 87 294.351 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopentyl-[2-[2-furylmethyl…

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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) 0.08 8.11 -31.42 1 6 0 78 294.351 7 ↓

Analogs

47631071
47631071
57551923
57551923
37387045
37387045
7760647
7760647

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Popular Name: 2-(cyclopentylamino)-N-isopropyl-N-[(5-methyl-2-furyl)methyl]acetamide 2-(cyclopentylamino)-N-isopropyl…

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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) 2.40 8.15 -40.84 2 4 1 50 279.404 6 ↓
Hi High (pH 8-9.5) 2.40 6.95 -8.06 1 4 0 45 278.396 6 ↓

Analogs

45913058
45913058
48559048
48559048
30214288
30214288
30214291
30214291
30213069
30213069

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Popular Name: N-[(5-bromo-2-furyl)methyl]-2-(cyclopentylamino)-N-methyl-acetamide N-[(5-bromo-2-furyl)methyl]-2-(c…

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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) 2.44 6.67 -40.92 2 4 1 50 316.219 5 ↓
Hi High (pH 8-9.5) 2.44 5.47 -6.79 1 4 0 45 315.211 5 ↓

Parameters Provided:

ring.id = 41560
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 = 41560 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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