UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16599548
16599548
16599549
16599549
25402675
25402675
25515130
25515130

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Popular Name: 3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(3,4-dimethylphenyl)benzenesulfonamide 3-(4-acetylpiperazine-1-carbonyl…

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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) 2.35 6.97 -16 1 7 0 87 449.96 4 ↓
Mid Mid (pH 6-8) 2.35 6.99 -50.26 0 7 -1 89 448.952 4 ↓

Analogs

21768723
21768723
25136962
25136962

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Popular Name: 3-(4-acetylpiperazine-1-carbonyl)-N-(4-butylphenyl)-4-methyl-benzenesulfonamide 3-(4-acetylpiperazine-1-carbonyl…

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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) 3.16 8.82 -16.25 1 7 0 87 457.596 7 ↓
Mid Mid (pH 6-8) 3.16 8.83 -53.51 0 7 -1 89 456.588 7 ↓

Analogs

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Popular Name: N-allyl-2-chloro-N-(2-chlorophenyl)-5-(4-propylpiperazine-1-carbonyl)benzenesulfonamide N-allyl-2-chloro-N-(2-chlorophen…

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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) 4.57 11.18 -55.98 1 6 1 62 497.468 8 ↓

Analogs

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Popular Name: 2-chloro-5-(4-formylpiperazine-1-carbonyl)-N-phenyl-benzenesulfonamide 2-chloro-5-(4-formylpiperazine-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) 1.55 5.16 -23.61 1 7 0 87 407.879 4 ↓
Hi High (pH 8-9.5) 1.55 5.24 -56.52 0 7 -1 89 406.871 4 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-5-(4-formylpiperazine-1-carbonyl)-2-methyl-benzenesulfonamide N-(3,5-dimethylphenyl)-5-(4-form…

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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) 2.15 6.71 -23.97 1 7 0 87 415.515 4 ↓
Hi High (pH 8-9.5) 2.15 6.81 -58.19 0 7 -1 89 414.507 4 ↓

Analogs

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Popular Name: 5-(4-formylpiperazine-1-carbonyl)-2-methyl-N-(p-tolyl)benzenesulfonamide 5-(4-formylpiperazine-1-carbonyl…

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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) 1.77 5.63 -24.83 1 7 0 87 401.488 4 ↓
Hi High (pH 8-9.5) 1.77 5.73 -57.95 0 7 -1 89 400.48 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.20 7.6 -17.33 1 8 0 96 479.986 6 ↓

Analogs

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Popular Name: N-methyl-3-(4-methylpiperazine-1-carbonyl)-N-phenyl-benzenesulfonamide N-methyl-3-(4-methylpiperazine-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) 1.78 7.76 -52.74 1 6 1 62 374.486 4 ↓
Mid Mid (pH 6-8) 1.78 5.41 -14.6 0 6 0 61 373.478 4 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide N-(3-chlorophenyl)-N-methyl-3-(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) 2.44 8.28 -53.95 1 6 1 62 408.931 4 ↓
Mid Mid (pH 6-8) 2.44 5.92 -15.43 0 6 0 61 407.923 4 ↓

Analogs

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Popular Name: N-methyl-3-(4-methylpiperazine-1-carbonyl)-N-(o-tolyl)benzenesulfonamide N-methyl-3-(4-methylpiperazine-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) 2.18 8.57 -46.81 1 6 1 62 388.513 4 ↓
Mid Mid (pH 6-8) 2.18 6.21 -11.43 0 6 0 61 387.505 4 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide N-(2-fluorophenyl)-N-methyl-3-(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) 1.90 7.7 -52.37 1 6 1 62 392.476 4 ↓
Mid Mid (pH 6-8) 1.90 5.36 -15.38 0 6 0 61 391.468 4 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide N-(4-fluorophenyl)-N-methyl-3-(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) 1.95 7.82 -52.51 1 6 1 62 392.476 4 ↓
Mid Mid (pH 6-8) 1.95 5.48 -13.97 0 6 0 61 391.468 4 ↓

Parameters Provided:

ring.id = 88146
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 = 88146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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