UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(diethylsulfamoyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]benzoic 5-(diethylsulfamoyl)-2-[3-(2-oxo…

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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 5.53 -63.17 1 8 -1 110 396.489 10 ↓

Analogs

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Popular Name: 2-nitro-5-[3-(2-oxopyrrolidin-1-yl)propylamino]benzoic 2-nitro-5-[3-(2-oxopyrrolidin-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) 1.80 6.68 -64.84 1 8 -1 118 306.298 7 ↓

Analogs

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Popular Name: 2-[[3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]benzoyl]amino]acetic 2-[[3-nitro-4-[3-(2-oxopyrrolidi…

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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) -0.77 5.05 -53.42 2 10 -1 147 363.35 9 ↓

Analogs

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Popular Name: (2S)-2-[[3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]benzoyl]amino]propanoic (2S)-2-[[3-nitro-4-[3-(2-oxopyrr…

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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) -0.98 5.9 -54.35 2 10 -1 147 377.377 9 ↓

Analogs

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Popular Name: (E)-3-[3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]phenyl]prop-2-enoic (E)-3-[3-nitro-4-[3-(2-oxopyrrol…

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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) 1.68 7.67 -58.19 1 8 -1 118 332.336 8 ↓

Analogs

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Popular Name: 2-[3-(2-oxopyrrolidin-1-yl)propylamino]-5-sulfamoyl-benzoic 2-[3-(2-oxopyrrolidin-1-yl)propy…

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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) 0.53 0.77 -63.39 3 8 -1 133 340.381 7 ↓

Analogs

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Popular Name: 5-(methylsulfamoyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]benzoic 5-(methylsulfamoyl)-2-[3-(2-oxop…

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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) 0.91 1.98 -63.49 2 8 -1 119 354.408 8 ↓

Analogs

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Popular Name: 2-fluoro-6-[[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]amino]benzonitrile 2-fluoro-6-[[(2S)-2-methyl-3-(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) 2.12 7 -14.91 1 4 0 56 275.327 5 ↓

Analogs

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Popular Name: 2-fluoro-6-[[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]amino]benzonitrile 2-fluoro-6-[[(2R)-2-methyl-3-(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) 2.12 7 -14.4 1 4 0 56 275.327 5 ↓

Analogs

43448374
43448374

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Popular Name: 2-fluoro-6-[3-(2-oxopyrrolidin-1-yl)propylamino]benzonitrile 2-fluoro-6-[3-(2-oxopyrrolidin-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) 1.64 6.38 -15.05 1 4 0 56 261.3 5 ↓

Parameters Provided:

ring.id = 129863
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 = 129863 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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