UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[5-[[(1S)-2-amino-2-oxo-1-phenyl-ethyl]amino]-2-methoxy-phenyl]-3-fluoro-benzamide N-[5-[[(1S)-2-amino-2-oxo-1-phen…

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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) 3.12 5.53 -17.71 4 6 0 93 393.418 7 ↓

Analogs

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Popular Name: N-[5-[[(1R)-2-amino-2-oxo-1-phenyl-ethyl]amino]-2-methoxy-phenyl]-3-fluoro-benzamide N-[5-[[(1R)-2-amino-2-oxo-1-phen…

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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) 3.12 5.52 -19.03 4 6 0 93 393.418 7 ↓

Analogs

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Popular Name: N-[3-[[(1S)-2-amino-2-oxo-1-phenyl-ethyl]amino]phenyl]benzamide N-[3-[[(1S)-2-amino-2-oxo-1-phen…

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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) 2.98 6.03 -17.08 4 5 0 84 345.402 6 ↓

Analogs

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Popular Name: N-[3-[[(1R)-2-amino-2-oxo-1-phenyl-ethyl]amino]phenyl]benzamide N-[3-[[(1R)-2-amino-2-oxo-1-phen…

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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) 2.98 6.03 -18.62 4 5 0 84 345.402 6 ↓

Analogs

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Popular Name: N-[3-[(4-cyanophenyl)methylamino]-4-methyl-phenyl]benzamide N-[3-[(4-cyanophenyl)methylamino…

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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) 4.22 10.28 -14.05 2 4 0 65 341.414 5 ↓

Analogs

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Popular Name: N-[2-methyl-3-(m-tolylmethylamino)phenyl]benzamide N-[2-methyl-3-(m-tolylmethylamin…

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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) 4.86 10.76 -9.88 2 3 0 41 330.431 5 ↓

Analogs

37120324
37120324
37120455
37120455
37120456
37120456
37126841
37126841
37126992
37126992

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Popular Name: N-[3-[(2-fluorophenyl)methylamino]-2-methyl-phenyl]benzamide N-[3-[(2-fluorophenyl)methylamin…

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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) 4.55 10.16 -11.05 2 3 0 41 334.394 5 ↓

Analogs

37009731
37009731
37126835
37126835

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Popular Name: N-[3-[(3-fluorophenyl)methylamino]-2-methyl-phenyl]benzamide N-[3-[(3-fluorophenyl)methylamin…

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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) 4.58 10.2 -10.94 2 3 0 41 334.394 5 ↓

Analogs

37126888
37126888

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Popular Name: N-[3-[(4-cyanophenyl)methylamino]-2-methyl-phenyl]benzamide N-[3-[(4-cyanophenyl)methylamino…

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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) 4.19 10.52 -13.75 2 4 0 65 341.414 5 ↓

Parameters Provided:

ring.id = 201998
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 = 201998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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