UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[cyclopropyl(3-hydroxypropyl)amino]-N-[(1S)-1-(2-furyl)ethyl]acetamide 2-[cyclopropyl(3-hydroxypropyl)a…

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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) 1.17 3.35 -36.99 3 5 1 67 267.349 8 ↓
Hi High (pH 8-9.5) 1.17 1.26 -9.63 2 5 0 66 266.341 8 ↓

Analogs

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Popular Name: 2-[cyclopropyl(3-hydroxypropyl)amino]-N-[(1R)-1-(2-furyl)ethyl]acetamide 2-[cyclopropyl(3-hydroxypropyl)a…

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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) 1.17 3.35 -37.18 3 5 1 67 267.349 8 ↓
Hi High (pH 8-9.5) 1.17 1.25 -9.48 2 5 0 66 266.341 8 ↓

Analogs

44723211
44723211
44723214
44723214
44723217
44723217
44723220
44723220

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Popular Name: (2S)-2-[3-aminopropyl(cyclopropyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[3-aminopropyl(cyclopropy…

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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 1.42 -49.98 4 5 1 73 266.365 8 ↓
Mid Mid (pH 6-8) -0.12 3.18 -33.09 4 5 1 73 266.365 8 ↓

Analogs

44723211
44723211
44723214
44723214
44723217
44723217
44723220
44723220

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Popular Name: (2R)-2-[3-aminopropyl(cyclopropyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[3-aminopropyl(cyclopropy…

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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 1.57 -50.5 4 5 1 73 266.365 8 ↓
Mid Mid (pH 6-8) -0.12 2.99 -32.53 4 5 1 73 266.365 8 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[(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) -0.87 5.36 -37.63 2 6 0 87 266.297 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[(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) -0.87 5.17 -28.26 2 6 0 87 266.297 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-(2-furylmethylamino)-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[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) -0.70 5.13 -39.7 2 6 0 87 252.27 7 ↓
Hi High (pH 8-9.5) -0.70 3.13 -48.63 1 6 -1 86 251.262 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[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) -0.14 6 -29.78 2 6 0 87 266.297 7 ↓
Hi High (pH 8-9.5) -0.14 4.15 -48.94 1 6 -1 86 265.289 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[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) -0.14 5.99 -30.27 2 6 0 87 266.297 7 ↓
Hi High (pH 8-9.5) -0.14 4.15 -49.23 1 6 -1 86 265.289 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[methyl-[(5-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) -0.73 8.03 -41.21 1 6 0 78 280.324 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[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) -0.95 7.22 -41.26 1 6 0 78 266.297 7 ↓

Analogs

47631071
47631071
48871959
48871959
15367998
15367998

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Popular Name: 2-(cyclopropylamino)-N-isopropyl-N-[(5-methyl-2-furyl)methyl]acetamide 2-(cyclopropylamino)-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) 1.37 6.95 -39.19 2 4 1 50 251.35 6 ↓
Hi High (pH 8-9.5) 1.37 5.68 -8.66 1 4 0 45 250.342 6 ↓

Analogs

48559048
48559048
30213069
30213069

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Popular Name: N-[(5-bromo-2-furyl)methyl]-2-(cyclopropylamino)-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) 1.40 5.47 -39.24 2 4 1 50 288.165 5 ↓
Hi High (pH 8-9.5) 1.40 4.19 -7.34 1 4 0 45 287.157 5 ↓

Analogs

49082275
49082275
15367998
15367998

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Popular Name: 2-(cyclopropylamino)-N-(2-dimethylaminoethyl)-N-[(5-methyl-2-furyl)methyl]acetamide 2-(cyclopropylamino)-N-(2-dimeth…

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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) 0.72 7.78 -107.69 3 5 2 54 281.4 8 ↓
Hi High (pH 8-9.5) 0.72 6.49 -50.2 2 5 1 50 280.392 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) 1.77 7 -37.1 2 6 1 73 295.359 9 ↓
Mid Mid (pH 6-8) 1.77 5.15 -11.05 1 6 0 72 294.351 9 ↓

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) 1.77 7 -37.52 2 6 1 73 295.359 9 ↓
Mid Mid (pH 6-8) 1.77 5.15 -11.31 1 6 0 72 294.351 9 ↓

Parameters Provided:

ring.id = 206186
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 = 206186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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