UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-acetamidoethyl)-2-[cyclopropyl-[(1R)-indan-1-yl]amino]acetamide N-(2-acetamidoethyl)-2-[cyclopro…

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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) 1.31 5.86 -42.27 3 5 1 63 316.425 7 ↓
Hi High (pH 8-9.5) 1.31 3.76 -12.93 2 5 0 61 315.417 7 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-2-[cyclopropyl-[(1S)-indan-1-yl]amino]acetamide N-(2-acetamidoethyl)-2-[cyclopro…

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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) 1.31 5.87 -39.51 3 5 1 63 316.425 7 ↓
Hi High (pH 8-9.5) 1.31 3.75 -11.71 2 5 0 61 315.417 7 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-N-(2-methoxyethyl)indan-1-amine (1S)-N-cyclopropyl-N-(2-methoxye…

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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) 2.54 8.3 -30.6 1 2 1 14 232.347 5 ↓
Hi High (pH 8-9.5) 2.54 6.12 -3.3 0 2 0 12 231.339 5 ↓

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) 2.63 9.84 -39.53 2 5 1 60 345.463 10 ↓
Hi High (pH 8-9.5) 2.63 7.72 -10.85 1 5 0 59 344.455 10 ↓

Analogs

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Popular Name: N-(tert-butylcarbamoyl)-2-[cyclopropyl-[(1S)-indan-1-yl]amino]acetamide N-(tert-butylcarbamoyl)-2-[cyclo…

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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) 3.00 8.42 -46.86 3 5 1 63 330.452 5 ↓
Hi High (pH 8-9.5) 3.00 6.32 -17.41 2 5 0 61 329.444 5 ↓

Analogs

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Popular Name: N-carbamoyl-3-[cyclopropyl-[(1S)-indan-1-yl]amino]propanamide N-carbamoyl-3-[cyclopropyl-[(1S)…

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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) 1.21 6.02 -50.2 4 5 1 77 288.371 5 ↓
Hi High (pH 8-9.5) 1.21 3.98 -18.42 3 5 0 75 287.363 5 ↓

Analogs

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Popular Name: N-carbamoyl-3-[cyclopropyl-[(1R)-indan-1-yl]amino]propanamide N-carbamoyl-3-[cyclopropyl-[(1R)…

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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) 1.21 5.89 -50.44 4 5 1 77 288.371 5 ↓
Hi High (pH 8-9.5) 1.21 3.8 -17.99 3 5 0 75 287.363 5 ↓

Analogs

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Popular Name: (1R)-1-(cyclopropylamino)indane-1-carboxylic (1R)-1-(cyclopropylamino)indane-…

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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) 1.63 6.85 -33.35 2 3 0 57 217.268 3 ↓

Analogs

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Popular Name: (1S)-1-(cyclopropylamino)indane-1-carboxylic (1S)-1-(cyclopropylamino)indane-…

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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) 1.63 7.03 -33.3 2 3 0 57 217.268 3 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-(dimethylsulfamoyl)indan-1-amine (1R)-N-cyclopropyl-N-(dimethylsu…

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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) 1.93 5.74 -6.67 0 4 0 41 280.393 4 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-N-(dimethylsulfamoyl)indan-1-amine (1S)-N-cyclopropyl-N-(dimethylsu…

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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) 1.93 5.31 -7.74 0 4 0 41 280.393 4 ↓

Analogs

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Popular Name: [(1R)-1-(cyclopropylamino)indan-1-yl]methanol [(1R)-1-(cyclopropylamino)indan-…

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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) 1.75 3.78 -36.15 3 2 1 37 204.293 3 ↓

Analogs

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Popular Name: [(1S)-1-(cyclopropylamino)indan-1-yl]methanol [(1S)-1-(cyclopropylamino)indan-…

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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) 1.75 3.91 -35.21 3 2 1 37 204.293 3 ↓

Parameters Provided:

ring.id = 180262
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 = 180262 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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