UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3,5-difluoro-4-methoxy-phenyl)-3-[3-[(1S)-1-phenylethoxy]propyl]urea 1-(3,5-difluoro-4-methoxy-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) 3.90 7.05 -11.8 2 5 0 60 364.392 8 ↓

Analogs

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Popular Name: 1-(3,5-difluoro-4-methoxy-phenyl)-3-[3-[(1R)-1-phenylethoxy]propyl]urea 1-(3,5-difluoro-4-methoxy-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) 3.90 7.02 -11.75 2 5 0 60 364.392 8 ↓

Analogs

14240343
14240343
41704207
41704207
41704209
41704209
41707001
41707001

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Popular Name: 3-phenyl-1-[3-[(1R)-1-phenylethoxy]propyl]urea 3-phenyl-1-[3-[(1R)-1-phenyletho…

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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) 3.66 7.49 -10.35 2 4 0 50 298.386 7 ↓

Analogs

41704207
41704207
41704209
41704209
41707001
41707001
14240342
14240342

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Popular Name: 3-phenyl-1-[3-[(1S)-1-phenylethoxy]propyl]urea 3-phenyl-1-[3-[(1S)-1-phenyletho…

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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) 3.66 7.51 -10.3 2 4 0 50 298.386 7 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[3-[(1S)-1-phenylethoxy]propylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[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) 3.90 8.09 -16.23 3 6 0 79 397.519 9 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[3-[(1R)-1-phenylethoxy]propylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[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) 3.90 8.06 -16.26 3 6 0 79 397.519 9 ↓

Analogs

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Popular Name: 1-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[3-[(1S)-1-phenylethoxy]propyl]urea 1-[2-[(1S)-2-cyano-1-methyl-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) 3.86 10.46 -16.66 2 5 0 74 397.544 10 ↓

Analogs

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Popular Name: 1-[2-[(1R)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[3-[(1S)-1-phenylethoxy]propyl]urea 1-[2-[(1R)-2-cyano-1-methyl-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) 3.86 10.48 -15.96 2 5 0 74 397.544 10 ↓

Analogs

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Popular Name: 1-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[3-[(1R)-1-phenylethoxy]propyl]urea 1-[2-[(1S)-2-cyano-1-methyl-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) 3.86 10.44 -16.73 2 5 0 74 397.544 10 ↓

Analogs

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Popular Name: 1-[2-[(1R)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[3-[(1R)-1-phenylethoxy]propyl]urea 1-[2-[(1R)-2-cyano-1-methyl-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) 3.86 10.45 -15.93 2 5 0 74 397.544 10 ↓

Analogs

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Popular Name: 1-[(2S)-3-benzyloxy-2-hydroxy-propyl]-1-methyl-3-(4-sulfamoylphenyl)urea 1-[(2S)-3-benzyloxy-2-hydroxy-pr…

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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) 1.32 1.13 -21.1 4 8 0 122 393.465 8 ↓

Analogs

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Popular Name: 1-[(2R)-3-benzyloxy-2-hydroxy-propyl]-1-methyl-3-(4-sulfamoylphenyl)urea 1-[(2R)-3-benzyloxy-2-hydroxy-pr…

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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) 1.32 1.49 -20.24 4 8 0 122 393.465 8 ↓

Parameters Provided:

ring.id = 101087
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 = 101087 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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