UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8331911
8331911
8331916
8331916

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Popular Name: 1-(4-ethylphenyl)ethylcarbamoylmethyl 1-(4-ethylphenyl)ethylcarbamoylm…

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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) 4.73 12.66 -16.44 1 6 0 73 411.889 8 ↓

Analogs

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Popular Name: (3-chlorophenyl)methylcarbamoylmethyl (3-chlorophenyl)methylcarbamoylm…

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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) 3.91 0.09 -16.34 1 6 0 72 404.253 7 ↓

Analogs

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Popular Name: (benzyl-isopropyl-carbamoyl)methyl (benzyl-isopropyl-carbamoyl)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) 4.17 2.72 -16.96 0 6 0 63 411.889 8 ↓

Analogs

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Popular Name: 1-(benzylcarbamoyl)ethyl 1-(benzylcarbamoyl)ethyl

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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) 3.62 0.54 -16.31 1 6 0 72 383.835 7 ↓

Analogs

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Popular Name: 1-(benzylcarbamoyl)ethyl 1-(benzylcarbamoyl)ethyl

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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) 3.62 0.54 -15.96 1 6 0 72 383.835 7 ↓

Analogs

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Popular Name: 1-(benzyl-methyl-carbamoyl)ethyl 1-(benzyl-methyl-carbamoyl)ethyl

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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 12.93 -18.84 0 6 0 64 397.862 7 ↓

Analogs

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Popular Name: (benzyl-methyl-carbamoyl)methyl (benzyl-methyl-carbamoyl)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) 3.50 2.28 -18.08 0 6 0 63 383.835 7 ↓

Analogs

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Popular Name: (4-chlorophenyl)methylcarbamoylmethyl (4-chlorophenyl)methylcarbamoylm…

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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) 3.93 0.09 -16.31 1 6 0 72 404.253 7 ↓

Analogs

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Popular Name: (2-methoxyphenyl)methylcarbamoylmethyl (2-methoxyphenyl)methylcarbamoyl…

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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) 3.26 9.72 -17.61 1 7 0 82 399.834 8 ↓

Analogs

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Popular Name: benzylcarbamoylmethyl benzylcarbamoylmethyl

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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) 3.25 10.38 -16.2 1 6 0 73 369.808 7 ↓

Analogs

8331911
8331911
8331916
8331916

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Popular Name: 1-phenylethylcarbamoylmethyl 1-phenylethylcarbamoylmethyl

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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) 3.81 11.22 -16.58 1 6 0 73 383.835 7 ↓

Analogs

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Popular Name: (benzyl-ethyl-carbamoyl)methyl (benzyl-ethyl-carbamoyl)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) 3.88 2.59 -17.48 0 6 0 63 397.862 8 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methylcarbamoylmethyl (4-methoxyphenyl)methylcarbamoyl…

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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) 3.31 9.69 -17.49 1 7 0 82 399.834 8 ↓

Parameters Provided:

ring.id = 1377
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 = 1377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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