UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41707216
41707216
41707219
41707219
41707242
41707242
41707245
41707245
41717294
41717294

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Popular Name: 1-(p-tolyl)-3-[2-(3-pyridyl)ethyl]urea 1-(p-tolyl)-3-[2-(3-pyridyl)ethy…

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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) 2.46 5.52 -12.86 2 4 0 54 255.321 4 ↓
Lo Low (pH 4.5-6) 2.46 5.8 -40.31 3 4 1 55 256.329 4 ↓

Analogs

37718624
37718624

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Popular Name: 1-phenyl-3-[2-(3-pyridyl)ethyl]urea 1-phenyl-3-[2-(3-pyridyl)ethyl]urea

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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) 2.01 4.88 -12.78 2 4 0 54 241.294 4 ↓
Lo Low (pH 4.5-6) 2.01 5.16 -40.29 3 4 1 55 242.302 4 ↓

Analogs

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Popular Name: N-tert-butyl-2-[2-(3-pyridyl)ethylcarbamoylamino]benzamide N-tert-butyl-2-[2-(3-pyridyl)eth…

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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) 2.34 5.74 -13.88 3 6 0 83 340.427 6 ↓
Lo Low (pH 4.5-6) 2.34 6.21 -39.65 4 6 1 84 341.435 6 ↓

Analogs

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Popular Name: 1-(4-acetylphenyl)-3-[2-(3-pyridyl)ethyl]urea 1-(4-acetylphenyl)-3-[2-(3-pyrid…

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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) 1.91 5.33 -15.37 2 5 0 71 283.331 5 ↓

Analogs

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Popular Name: 1-(3-acetylphenyl)-3-[2-(3-pyridyl)ethyl]urea 1-(3-acetylphenyl)-3-[2-(3-pyrid…

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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) 1.89 5.26 -21.56 2 5 0 71 283.331 5 ↓

Analogs

48430033
48430033
48465575
48465575
48468702
48468702
48470118
48470118
48473428
48473428

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Popular Name: 1-[3-[(1S)-1-hydroxyethyl]phenyl]-3-[2-(3-pyridyl)ethyl]urea 1-[3-[(1S)-1-hydroxyethyl]phenyl…

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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) 1.55 3.03 -14.03 3 5 0 74 285.347 5 ↓
Lo Low (pH 4.5-6) 1.55 3.5 -42.25 4 5 1 75 286.355 5 ↓

Analogs

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Popular Name: 1-[3-[(1R)-1-hydroxyethyl]phenyl]-3-[2-(3-pyridyl)ethyl]urea 1-[3-[(1R)-1-hydroxyethyl]phenyl…

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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) 1.55 3 -14.65 3 5 0 74 285.347 5 ↓
Lo Low (pH 4.5-6) 1.55 3.47 -42.56 4 5 1 75 286.355 5 ↓

Analogs

48470405
48470405
12537419
12537419

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Popular Name: 1-[4-[(1S)-1-hydroxyethyl]phenyl]-3-[2-(3-pyridyl)ethyl]urea 1-[4-[(1S)-1-hydroxyethyl]phenyl…

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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) 1.58 3.03 -15.77 3 5 0 74 285.347 5 ↓
Lo Low (pH 4.5-6) 1.58 3.51 -43.1 4 5 1 75 286.355 5 ↓

Analogs

48470405
48470405
12537419
12537419

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Popular Name: 1-[4-[(1R)-1-hydroxyethyl]phenyl]-3-[2-(3-pyridyl)ethyl]urea 1-[4-[(1R)-1-hydroxyethyl]phenyl…

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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) 1.58 2.99 -15.46 3 5 0 74 285.347 5 ↓
Lo Low (pH 4.5-6) 1.58 3.46 -42.93 4 5 1 75 286.355 5 ↓

Analogs

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Popular Name: 1-(3-aminophenyl)-3-[2-(3-pyridyl)ethyl]urea 1-(3-aminophenyl)-3-[2-(3-pyridy…

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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) 1.07 2.72 -13.27 4 5 0 80 256.309 4 ↓
Lo Low (pH 4.5-6) 1.07 3.19 -41.02 5 5 1 81 257.317 4 ↓

Analogs

12539531
12539531

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Popular Name: 1-(4-aminophenyl)-3-[2-(3-pyridyl)ethyl]urea 1-(4-aminophenyl)-3-[2-(3-pyridy…

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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) 1.09 2.75 -13.44 4 5 0 80 256.309 4 ↓
Lo Low (pH 4.5-6) 1.09 3.22 -40.76 5 5 1 81 257.317 4 ↓

Analogs

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Popular Name: 1-[4-(aminomethyl)phenyl]-3-[2-(3-pyridyl)ethyl]urea 1-[4-(aminomethyl)phenyl]-3-[2-(…

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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) 1.20 2.92 -53.37 5 5 1 82 271.344 5 ↓
Lo Low (pH 4.5-6) 1.20 3.39 -89.02 6 5 2 83 272.352 5 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)phenyl]-3-[2-(3-pyridyl)ethyl]urea 1-[3-(aminomethyl)phenyl]-3-[2-(…

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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 2.92 -58.13 5 5 1 82 271.344 5 ↓
Lo Low (pH 4.5-6) 1.17 3.39 -93.28 6 5 2 83 272.352 5 ↓

Parameters Provided:

ring.id = 101809
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 = 101809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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