UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]benzamide N-[(1S)-2-(4-benzylpiperazin-1-y…

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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) 2.10 7.02 -9.55 1 5 0 53 351.45 5 ↓
Mid Mid (pH 6-8) 2.10 9.23 -48.73 2 5 1 54 352.458 5 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-3-methyl-benzamide N-[(1S)-2-(4-benzylpiperazin-1-y…

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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) 2.53 7.69 -9.56 1 5 0 53 365.477 5 ↓

Analogs

21005102
21005102

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Popular Name: N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-4-tert-butyl-benzamide N-[(1R)-2-(4-benzylpiperazin-1-y…

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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 9.36 -8.85 1 5 0 53 407.558 6 ↓
Lo Low (pH 4.5-6) 3.81 11.58 -47.24 2 5 1 54 408.566 6 ↓

Analogs

21005210
21005210

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Popular Name: N-[(1R)-1-(4-benzylpiperazine-1-carbonyl)-2-methyl-propyl]-3-methyl-benzamide N-[(1R)-1-(4-benzylpiperazine-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) 3.31 9.09 -8.79 1 5 0 53 393.531 6 ↓
Lo Low (pH 4.5-6) 3.31 11.46 -47.05 2 5 1 54 394.539 6 ↓

Analogs

23549000
23549000

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Popular Name: N-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide N-[(1R)-1-[4-[(4-chlorophenyl)me…

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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) 3.96 9.71 -8.26 1 5 0 53 427.976 6 ↓
Lo Low (pH 4.5-6) 3.96 11.71 -52.41 2 5 1 54 428.984 6 ↓

Analogs

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Popular Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-3-(trifluoromethyl)benzamide N-[2-(4-benzylpiperazin-1-yl)-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) 2.64 7.41 -10.63 1 5 0 53 405.42 6 ↓
Mid Mid (pH 6-8) 2.64 9.62 -50.5 2 5 1 54 406.428 6 ↓

Analogs

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Popular Name: N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[4-[(4-chlorophenyl)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) 2.85 7.59 -9.75 1 5 0 53 385.895 5 ↓
Mid Mid (pH 6-8) 2.85 9.81 -52.8 2 5 1 54 386.903 5 ↓

Analogs

38738781
38738781

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Popular Name: N-[(1S)-1-[4-[(5-isopropyl-2-methoxy-phenyl)methyl]piperazine-1-carbonyl]-3-methyl-butyl]benzamide N-[(1S)-1-[4-[(5-isopropyl-2-met…

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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) 4.91 10.26 -8.6 1 6 0 62 465.638 9 ↓
Mid Mid (pH 6-8) 4.91 12.74 -45.87 2 6 1 63 466.646 9 ↓

Analogs

38738780
38738780

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Popular Name: N-[(1R)-1-[4-[(5-isopropyl-2-methoxy-phenyl)methyl]piperazine-1-carbonyl]-3-methyl-butyl]benzamide N-[(1R)-1-[4-[(5-isopropyl-2-met…

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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) 4.91 10.7 -8.97 1 6 0 62 465.638 9 ↓
Mid Mid (pH 6-8) 4.91 12.51 -43.14 2 6 1 63 466.646 9 ↓

Parameters Provided:

ring.id = 51039
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 = 51039 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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