UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-N-methyl-4-(trifluoromethoxy)benzenesulfonamide 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) 2.86 6.02 -10.84 0 7 0 70 471.501 8 ↓

Analogs

41778688
41778688
34951702
34951702
34951703
34951703
34951704
34951704

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Popular Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]benzenesulfonamide 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) 1.98 4.73 -14.05 1 6 0 70 387.505 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-4-chloro-benzenesulfonamide 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) 2.65 5.25 -13.06 1 6 0 70 421.95 6 ↓
Lo Low (pH 4.5-6) 2.65 7.46 -56.01 2 6 1 71 422.958 6 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-4-chloro-benzenesulfonamide 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) 2.65 5.21 -13.97 1 6 0 70 421.95 6 ↓
Lo Low (pH 4.5-6) 2.65 7.43 -54.63 2 6 1 71 422.958 6 ↓

Analogs

14232698
14232698
25081263
25081263
25465303
25465303
25520315
25520315

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Popular Name: N-[4-[[(1R)-1-methyl-2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfamoyl]phenyl]acetamide N-[4-[[(1R)-1-methyl-2-[4-(o-tol…

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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) 1.60 4.38 -22.89 2 8 0 99 458.584 7 ↓

Analogs

25081263
25081263
25465303
25465303
25520315
25520315
14232694
14232694

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Popular Name: N-[4-[[(1S)-1-methyl-2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfamoyl]phenyl]acetamide N-[4-[[(1S)-1-methyl-2-[4-(o-tol…

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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) 1.60 4.83 -23.73 2 8 0 99 458.584 7 ↓

Analogs

14242502
14242502
25421832
25421832
25421837
25421837
25465633
25465633

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Popular Name: N-[(1R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2-fluoro-benzenesulfonamid N-[(1R)-2-[4-[(4-cyanophenyl)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) 1.85 4.87 -17.23 1 7 0 94 430.505 6 ↓

Analogs

25421832
25421832
25421837
25421837
25465633
25465633
14242501
14242501

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Popular Name: N-[(1S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]-2-fluoro-benzenesulfonamid N-[(1S)-2-[4-[(4-cyanophenyl)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) 1.85 5.06 -19.55 1 7 0 94 430.505 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-benzylpiperazine-1-carbonyl)-2-methyl-propyl]-2-fluoro-benzenesulfonamide 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) 2.87 5.5 -13.55 1 6 0 70 433.549 7 ↓
Lo Low (pH 4.5-6) 2.87 8.22 -50.9 2 6 1 71 434.557 7 ↓

Analogs

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Popular Name: N-[(1S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]benzenesulfonamide N-[(1S)-2-[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) 2.65 5.25 -14.68 1 6 0 70 421.95 6 ↓
Lo Low (pH 4.5-6) 2.65 7.46 -61.89 2 6 1 71 422.958 6 ↓

Analogs

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Popular Name: N-[(1R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]benzenesulfonamide N-[(1R)-2-[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) 2.65 5.29 -15.6 1 6 0 70 421.95 6 ↓
Lo Low (pH 4.5-6) 2.65 7.5 -61.84 2 6 1 71 422.958 6 ↓

Analogs

36106586
36106586
34951702
34951702
34951703
34951703

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]benzenesulfonamide 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) 1.98 4.69 -15.01 1 6 0 70 387.505 6 ↓

Analogs

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Popular Name: 4-chloro-N-[2-[4-[(R)-cyano(phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-N-methyl-benzenesulfonamide 4-chloro-N-[2-[4-[(R)-cyano(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) 2.54 7.28 -21.18 0 7 0 85 446.96 6 ↓

Analogs

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Popular Name: 4-chloro-N-[2-[4-[(S)-cyano(phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-N-methyl-benzenesulfonamide 4-chloro-N-[2-[4-[(S)-cyano(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) 2.54 7.38 -19.29 0 7 0 85 446.96 6 ↓

Parameters Provided:

ring.id = 42939
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 = 42939 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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