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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11841229
11841229

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Popular Name: 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-[[(1S,4S,5R)-spiro[bicyclo[2.2.1]hept-2-e 1-(4-methyl-7,8-dihydro-6H-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) 5.07 -3.49 -13.7 1 5 0 58 442.607 4 ↓

Analogs

11841228
11841228

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Popular Name: 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-[[(1S,4S,5S)-spiro[bicyclo[2.2.1]hept-2-e 1-(4-methyl-7,8-dihydro-6H-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) 5.07 -3.56 -14.3 1 5 0 58 442.607 4 ↓

Analogs

11997300
11997300

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Popular Name: 1-benzyl-N-cyclopropyl-4-oxo-N'-[[(1S,4S,5R)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl] 1-benzyl-N-cyclopropyl-4-oxo-N'-…

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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 -0.38 -45.87 2 6 0 80 443.547 7 ↓

Analogs

11997298
11997298

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Popular Name: 1-benzyl-N-cyclopropyl-4-oxo-N'-[[(1S,4S,5S)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl] 1-benzyl-N-cyclopropyl-4-oxo-N'-…

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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 -0.45 -46.98 2 6 0 80 443.547 7 ↓

Analogs

11999615
11999615

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Popular Name: 3-(4-fluorophenyl)-N-[[(1S,4S,5R)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl]methyl]-5-( 3-(4-fluorophenyl)-N-[[(1S,4S,5R…

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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) 4.17 2.66 -15.13 1 6 0 73 415.472 5 ↓

Analogs

11999611
11999611

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Popular Name: 3-(4-fluorophenyl)-N-[[(1S,4S,5S)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl]methyl]-5-( 3-(4-fluorophenyl)-N-[[(1S,4S,5S…

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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) 4.17 2.61 -15.75 1 6 0 73 415.472 5 ↓

Analogs

12035128
12035128

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Popular Name: 1-cyclohexyl-N'-methyl-4-oxo-N-[[(1S,4S,5R)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl]m 1-cyclohexyl-N'-methyl-4-oxo-N-[…

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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) 2.70 -0.79 -40.9 2 6 0 80 409.53 5 ↓

Analogs

12035126
12035126

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Popular Name: 1-cyclohexyl-N'-methyl-4-oxo-N-[[(1S,4S,5S)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl]m 1-cyclohexyl-N'-methyl-4-oxo-N-[…

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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) 2.70 -0.82 -41.98 2 6 0 80 409.53 5 ↓

Analogs

12041757
12041757

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Popular Name: 4-(6-methoxy-2-pyridyl)-2-[[[(1S,4S,5R)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl]methy 4-(6-methoxy-2-pyridyl)-2-[[[(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) 4.53 -2.58 -46.74 3 4 1 59 363.481 6 ↓

Analogs

12041756
12041756

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Popular Name: 4-(6-methoxy-2-pyridyl)-2-[[[(1S,4S,5S)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl]methy 4-(6-methoxy-2-pyridyl)-2-[[[(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) 4.53 -2.71 -41.93 3 4 1 59 363.481 6 ↓

Analogs

12042161
12042161

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Popular Name: 3-phenyl-N-[[(1S,4S,5R)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl]methyl]-5-(tetrazol-1 3-phenyl-N-[[(1S,4S,5R)-spiro[bi…

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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) 4.01 1.92 -14.73 1 6 0 73 397.482 5 ↓

Analogs

12042159
12042159

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Popular Name: 3-phenyl-N-[[(1S,4S,5S)-spiro[bicyclo[2.2.1]hept-2-ene-7,1'-cyclopropane]-5-yl]methyl]-5-(tetrazol-1 3-phenyl-N-[[(1S,4S,5S)-spiro[bi…

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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) 4.01 1.87 -15.37 1 6 0 73 397.482 5 ↓

Analogs

23362878
23362878

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Popular Name: 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-[[(1S,4S,5R)-spiro[bicyclo[2.2.1] 2-[4-(4-fluorophenyl)-2-[(4-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) 4.76 13.85 -37.95 2 5 1 46 490.643 8 ↓
Mid Mid (pH 6-8) 4.76 13.73 -39.83 2 5 1 46 490.643 8 ↓
Mid Mid (pH 6-8) 4.76 11.48 -13.17 1 5 0 45 489.635 8 ↓

Analogs

23362876
23362876

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Popular Name: 2-[4-(4-fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]phenoxy]-N-[[(1S,4S,5S)-spiro[bicyclo[2.2.1] 2-[4-(4-fluorophenyl)-2-[(4-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) 4.76 13.88 -37.84 2 5 1 46 490.643 8 ↓
Mid Mid (pH 6-8) 4.76 13.76 -40.04 2 5 1 46 490.643 8 ↓
Mid Mid (pH 6-8) 4.76 11.52 -13.79 1 5 0 45 489.635 8 ↓

Parameters Provided:

ring.id = 59251
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 = 59251 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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