UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]urea 1-(2-chlorophenyl)-3-[(2R)-2-cyc…

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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) 3.72 4.44 -6.42 3 4 0 61 296.798 4 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]urea 1-(2-chlorophenyl)-3-[(2S)-2-cyc…

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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) 3.72 4.36 -6.52 3 4 0 61 296.798 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]-3-phenyl-urea 1-[(2R)-2-cyclohexyl-2-hydroxy-e…

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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) 3.09 3.79 -8.27 3 4 0 61 262.353 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]-3-phenyl-urea 1-[(2S)-2-cyclohexyl-2-hydroxy-e…

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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) 3.09 3.7 -8.37 3 4 0 61 262.353 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]-3-(4-methoxyphenyl)urea 1-[(2R)-2-cyclohexyl-2-hydroxy-e…

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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) 3.15 2.85 -9.11 3 5 0 71 292.379 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]-3-(4-methoxyphenyl)urea 1-[(2S)-2-cyclohexyl-2-hydroxy-e…

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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) 3.15 3 -9.08 3 5 0 71 292.379 5 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]-3-(m-tolyl)urea 1-[(2R)-2-cyclohexyl-2-hydroxy-e…

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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) 3.51 4.23 -8.58 3 4 0 61 276.38 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]-3-(m-tolyl)urea 1-[(2S)-2-cyclohexyl-2-hydroxy-e…

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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) 3.51 4.38 -8.56 3 4 0 61 276.38 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]-3-(2-fluorophenyl)urea 1-[(2R)-2-cyclohexyl-2-hydroxy-e…

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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) 3.21 3.92 -6.95 3 4 0 61 280.343 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]-3-(2-fluorophenyl)urea 1-[(2S)-2-cyclohexyl-2-hydroxy-e…

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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) 3.21 3.84 -7.04 3 4 0 61 280.343 4 ↓

Analogs

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Popular Name: 3-[[2-cyclohexylethyl(methyl)carbamoyl]amino]-N,2-dimethyl-benzamide 3-[[2-cyclohexylethyl(methyl)car…

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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) 3.98 8.36 -11.7 2 5 0 61 331.46 5 ↓

Analogs

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Popular Name: 2-[2-[[2-cyclohexylethyl(methyl)carbamoyl]amino]phenyl]sulfanylacetamide 2-[2-[[2-cyclohexylethyl(methyl)…

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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) 3.55 7.3 -15.25 3 5 0 75 349.5 7 ↓

Analogs

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Popular Name: 1-(3-acetylphenyl)-3-(2-cyclohexylethyl)urea 1-(3-acetylphenyl)-3-(2-cyclohex…

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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) 4.06 7.28 -17.79 2 4 0 58 288.391 5 ↓

Analogs

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Popular Name: 1-(2-cyclohexylethyl)-3-(2,3-difluorophenyl)urea 1-(2-cyclohexylethyl)-3-(2,3-dif…

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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) 4.42 6.98 -6.96 2 3 0 41 282.334 4 ↓

Analogs

16638004
16638004
16638007
16638007

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Popular Name: 1-(2-cyclohexylethyl)-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea 1-(2-cyclohexylethyl)-3-[3-[(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) 3.73 5.08 -10.05 3 4 0 61 290.407 5 ↓

Analogs

16638004
16638004
16638007
16638007

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Popular Name: 1-(2-cyclohexylethyl)-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-(2-cyclohexylethyl)-3-[3-[(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) 3.73 5.04 -10.88 3 4 0 61 290.407 5 ↓

Analogs

48468897
48468897
48470354
48470354
48470356
48470356
48470358
48470358
48470360
48470360

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Popular Name: 1-(2-cyclohexylethyl)-3-[4-[(1S)-1-hydroxyethyl]phenyl]urea 1-(2-cyclohexylethyl)-3-[4-[(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) 3.75 5.08 -10 3 4 0 61 290.407 5 ↓

Analogs

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Popular Name: 1-(2-cyclohexylethyl)-3-[4-[(1R)-1-hydroxyethyl]phenyl]urea 1-(2-cyclohexylethyl)-3-[4-[(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) 3.75 5.03 -9.61 3 4 0 61 290.407 5 ↓

Parameters Provided:

ring.id = 319702
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 = 319702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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