UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25451726
25451726
25541832
25541832
25923858
25923858

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Popular Name: N,N-diethyl-2-methyl-5-BLAHylcarbonyl-benzenesulfonamide N,N-diethyl-2-methyl-5-BLAHylcar…

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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) 3.18 -3.63 -14.91 1 6 0 73 425.554 5 ↓

Analogs

25529185
25529185
25541980
25541980
25549067
25549067
34928368
34928368
8509882
8509882

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Popular Name: (4-methoxyphenyl)-BLAHyl-methanone (4-methoxyphenyl)-BLAHyl-methanone

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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) 2.79 -0.58 -13.32 1 4 0 45 306.365 2 ↓

Analogs

25451343
25451343
25453369
25453369
25541832
25541832
25923858
25923858

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Popular Name: N,N-dimethyl-3-BLAHylcarbonyl-benzenesulfonamide N,N-dimethyl-3-BLAHylcarbonyl-be…

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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) 2.02 -4.69 -17.61 1 6 0 73 383.473 3 ↓

Analogs

25453431
25453431

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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) 3.60 -1.48 -17.92 2 6 0 74 391.471 4 ↓

Analogs

9901625
9901625

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Popular Name: N-isopropyl-2-methoxy-5-BLAHylcarbonyl-benzenesulfonamide N-isopropyl-2-methoxy-5-BLAHylca…

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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) 2.46 -5.27 -20.22 2 7 0 92 427.526 5 ↓

Analogs

25541832
25541832
25923858
25923858

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Popular Name: 4-methyl-3-BLAHylcarbonyl-benzenesulfonamide 4-methyl-3-BLAHylcarbonyl-benzen…

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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) 1.80 -6.67 -19.06 3 6 0 96 369.446 2 ↓

Analogs

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Popular Name: N-allyl-4-BLAHylcarbonyl-benzenesulfonamide N-allyl-4-BLAHylcarbonyl-benzene…

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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) 2.45 -5.74 -14.69 2 6 0 82 395.484 5 ↓

Analogs

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Popular Name: 2-(2-chloro-6-methoxy-4-BLAHylcarbonyl-phenoxy)acetamide 2-(2-chloro-6-methoxy-4-BLAHylca…

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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) 1.92 -3.08 -17.17 3 7 0 98 413.861 5 ↓

Analogs

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Popular Name: (4-chloro-2-nitro-phenyl)-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (4-chloro-2-nitro-phenyl)-(8-chl…

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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) 3.95 11.11 -19.64 1 6 0 82 390.226 2 ↓

Analogs

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Popular Name: (8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-methyl-2-nitro-phenyl)methanone (8-chloro-1,3,4,5-tetrahydropyri…

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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) 3.70 10.71 -18.89 1 6 0 82 369.808 2 ↓

Parameters Provided:

ring.id = 62544
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 = 62544 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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