UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxo-ethyl] [2-[methyl-[(1S)-1-phenylethyl]a…

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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) 2.65 13.15 -25.82 0 8 0 95 419.437 7 ↓

Analogs

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Popular Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxo-ethyl] [2-[methyl-[(1R)-1-phenylethyl]a…

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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) 2.65 12.37 -26.85 0 8 0 95 419.437 7 ↓

Analogs

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Popular Name: [2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl] [2-[[(1S)-1-(2,4-dichlorophenyl)…

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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) 3.69 11.89 -26.55 1 8 0 103 474.3 7 ↓

Analogs

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Popular Name: [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl] [2-[[(1R)-1-(2,4-dichlorophenyl)…

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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) 3.69 11.86 -26.88 1 8 0 103 474.3 7 ↓

Analogs

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Popular Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] [2-[(4-fluorophenyl)methyl-methy…

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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) 2.25 12.25 -26.89 0 8 0 95 423.4 7 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] [(1R)-1-methyl-2-oxo-2-[[(1S)-1-…

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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) 2.93 12.84 -23.74 1 8 0 103 447.491 9 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] [(1R)-1-methyl-2-oxo-2-[[(1R)-1-…

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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) 2.93 12.84 -23.64 1 8 0 103 447.491 9 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] [(1S)-1-methyl-2-oxo-2-[[(1S)-1-…

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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) 2.93 12.84 -25.45 1 8 0 103 447.491 9 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] [(1S)-1-methyl-2-oxo-2-[[(1R)-1-…

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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) 2.93 12.84 -26.09 1 8 0 103 447.491 9 ↓

Analogs

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Popular Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] [2-[benzyl(ethyl)amino]-2-oxo-et…

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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) 2.47 13.09 -25.96 0 8 0 95 419.437 8 ↓

Parameters Provided:

ring.id = 15595
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 = 15595 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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