UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25155706
25155706
25155711
25155711

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Popular Name: N-[(2R)-2-dimethylamino-3-phenyl-propyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide N-[(2R)-2-dimethylamino-3-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) 4.54 11.21 -51.61 3 6 1 80 466.627 9 ↓
Hi High (pH 8-9.5) 4.54 9.22 -43.95 1 6 -1 81 464.611 9 ↓
Hi High (pH 8-9.5) 4.54 11.28 -65.87 2 6 0 82 465.619 9 ↓

Analogs

25155706
25155706
25155711
25155711

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Popular Name: N-[(2S)-2-dimethylamino-3-phenyl-propyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide N-[(2S)-2-dimethylamino-3-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) 4.54 10.55 -50.84 3 6 1 80 466.627 9 ↓
Hi High (pH 8-9.5) 4.54 8.48 -44.64 1 6 -1 81 464.611 9 ↓
Hi High (pH 8-9.5) 4.54 10.62 -68.22 2 6 0 82 465.619 9 ↓

Analogs

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Popular Name: N-[3-(2-ethoxyphenyl)propyl]-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]benzamide N-[3-(2-ethoxyphenyl)propyl]-4-[…

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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 8.94 -16.48 1 7 0 85 482.602 11 ↓

Analogs

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Popular Name: 4-(benzenesulfonyl-methyl-amino)-N-[3-(m-tolyl)propyl]benzamide 4-(benzenesulfonyl-methyl-amino)…

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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) 4.89 10.02 -15.11 1 5 0 66 422.55 8 ↓

Analogs

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Popular Name: N-(3-phenylpropyl)-4-(p-tolylsulfonylamino)benzamide N-(3-phenylpropyl)-4-(p-tolylsul…

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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) 4.67 8.67 -15.68 2 5 0 75 408.523 8 ↓
Hi High (pH 8-9.5) 4.67 8.74 -47.08 1 5 -1 77 407.515 8 ↓

Analogs

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Popular Name: 4-(benzenesulfonamido)-N-[3-(4-methoxyphenyl)propyl]benzamide 4-(benzenesulfonamido)-N-[3-(4-m…

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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) 4.28 7.41 -15.46 2 6 0 85 424.522 9 ↓
Hi High (pH 8-9.5) 4.28 7.49 -44.93 1 6 -1 87 423.514 9 ↓

Analogs

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Popular Name: 4-(benzenesulfonamido)-N-[3-(3-isopropoxyphenyl)propyl]benzamide 4-(benzenesulfonamido)-N-[3-(3-i…

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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) 4.99 9.01 -15.22 2 6 0 85 452.576 10 ↓
Hi High (pH 8-9.5) 4.99 9.09 -45.09 1 6 -1 87 451.568 10 ↓

Analogs

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Popular Name: 4-(benzenesulfonyl-methyl-amino)-N-[3-(2-ethoxyphenyl)propyl]benzamide 4-(benzenesulfonyl-methyl-amino)…

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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) 4.85 9.71 -16.53 1 6 0 76 452.576 10 ↓

Analogs

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Popular Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[3-(m-tolyl)propyl]benzamide 4-[methyl-(4-methylsulfanylpheny…

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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) 5.32 11.05 -15.19 1 5 0 66 468.644 9 ↓

Analogs

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Popular Name: 3-methyl-N-[3-(m-tolyl)propyl]-4-(p-tolylsulfonylamino)benzamide 3-methyl-N-[3-(m-tolyl)propyl]-4…

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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) 5.47 10.17 -13.73 2 5 0 75 436.577 8 ↓
Hi High (pH 8-9.5) 5.47 10.23 -43.12 1 5 -1 77 435.569 8 ↓

Analogs

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Popular Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-phenylpropyl)benzamide 4-[methyl-(4-methylsulfanylpheny…

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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) 4.90 10.38 -15.09 1 5 0 66 454.617 9 ↓

Analogs

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Popular Name: 4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-[3-(p-tolyl)propyl]benzamide 4-[methyl-(4-methylsulfanylpheny…

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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) 5.35 11.06 -15.17 1 5 0 66 468.644 9 ↓

Analogs

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Popular Name: 4-(benzenesulfonyl-methyl-amino)-N-(3-phenylpropyl)benzamide 4-(benzenesulfonyl-methyl-amino)…

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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) 4.46 9.43 -15.59 1 5 0 66 408.523 8 ↓

Analogs

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Popular Name: N-[3-(2-chlorophenyl)propyl]-4-(p-tolylsulfonylamino)benzamide N-[3-(2-chlorophenyl)propyl]-4-(…

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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) 5.30 9.08 -15.98 2 5 0 75 442.968 8 ↓
Hi High (pH 8-9.5) 5.30 9.15 -47.56 1 5 -1 77 441.96 8 ↓

Analogs

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Popular Name: 4-(benzenesulfonamido)-3-methyl-N-[3-(p-tolyl)propyl]benzamide 4-(benzenesulfonamido)-3-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) 5.04 9.49 -13.86 2 5 0 75 422.55 8 ↓
Hi High (pH 8-9.5) 5.04 9.56 -42.93 1 5 -1 77 421.542 8 ↓

Parameters Provided:

ring.id = 102361
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 = 102361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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