UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]butanamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 2.75 8.04 -7.26 2 3 0 34 251.394 4 ↓

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-2-methoxy-acetamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 1.30 6.55 -10.01 2 4 0 43 253.366 4 ↓

Analogs

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Popular Name: N-[(1R,5S)-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl]-2-ureido-acetamide N-[(1R,5S)-3-cyclopropyl-3-azabi…

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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 2.07 -9.24 5 6 0 89 281.38 4 ↓

Analogs

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Popular Name: (2S)-N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-2-methylsulfanyl-propanamide (2S)-N-[(1R,5S)-7-cyclopropyl-7-…

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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) 2.20 8.27 -78.89 2 3 0 34 283.461 4 ↓

Analogs

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Popular Name: (2R)-N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-2-methylsulfanyl-propanamide (2R)-N-[(1R,5S)-7-cyclopropyl-7-…

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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) 2.20 8.27 -78.46 2 3 0 34 283.461 4 ↓

Analogs

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Popular Name: (1R,5S)-7-cyclopropyl-9-[[2-methoxyethyl(methyl)sulfamoyl]amino]-7-azabicyclo[3.3.1]nonane (1R,5S)-7-cyclopropyl-9-[[2-meth…

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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) 1.35 5.23 -61.43 2 6 0 63 332.49 7 ↓
Hi High (pH 8-9.5) 1.35 5.17 -40.75 1 6 0 65 331.482 7 ↓

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-3-methyl-but-2-enamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 2.99 8.49 -5.98 2 3 0 34 263.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-2-methylsulfanyl-acetamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 1.84 7.7 -81.13 2 3 0 34 269.434 4 ↓

Analogs

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Popular Name: (1R,5S)-7-cyclopropyl-9-(dimethylsulfamoylamino)-7-azabicyclo[3.3.1]nonane (1R,5S)-7-cyclopropyl-9-(dimethy…

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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 4.36 -67.37 2 5 0 54 288.437 4 ↓
Hi High (pH 8-9.5) 1.37 4.25 -42.86 1 5 0 56 287.429 4 ↓

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]methanesulfonamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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 3.91 -62.54 2 4 0 51 259.395 3 ↓

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]ethanesulfonamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 1.74 4.79 -62 2 4 0 51 273.422 4 ↓

Analogs

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]propane-2-sulfonamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 2.10 5.64 -61.3 2 4 0 51 287.449 4 ↓

Analogs

36881463
36881463
36881464
36881464
36881562
36881562

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Popular Name: N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]propane-1-sulfonamide N-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 2.24 5.59 -62.49 2 4 0 51 287.449 5 ↓

Analogs

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Popular Name: (2E,4E)-N-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]hexa-2,4-dienamide (2E,4E)-N-[(1R,5S)-7-cyclopropyl…

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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) 2.73 9.32 -78.91 2 3 0 34 275.416 4 ↓

Analogs

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Popular Name: 1-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-3-propyl-urea 1-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 2.52 6.74 -8.19 3 4 0 46 266.409 4 ↓

Analogs

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Popular Name: 1-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-3-isobutyl-urea 1-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 2.76 7.49 -7.95 3 4 0 46 280.436 4 ↓

Analogs

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Popular Name: 1-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-3-[(1R)-1-methylpropyl]urea 1-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 2.85 7.75 -8.13 3 4 0 46 280.436 4 ↓

Analogs

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Popular Name: 1-[(1R,5S)-7-cyclopropyl-7-azabicyclo[3.3.1]nonan-9-yl]-3-[(1S)-1-methylpropyl]urea 1-[(1R,5S)-7-cyclopropyl-7-azabi…

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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) 2.85 7.75 -8.11 3 4 0 46 280.436 4 ↓

Parameters Provided:

ring.id = 113611
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 = 113611 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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