UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-(2-methoxyethoxy)benzamide N-cyclopropyl-N-[(3R)-2,5-dioxop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.08 1.45 -51.18 0 7 -1 91 331.348 7 ↓
Lo Low (pH 4.5-6) -0.26 2.7 -11.02 1 7 0 85 332.356 7 ↓
Lo Low (pH 4.5-6) -0.26 3.12 -14.67 1 7 0 85 332.356 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide N-cyclopropyl-N-[(3R)-2,5-dioxop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.87 2.87 -42.6 0 5 -1 73 325.266 4 ↓
Lo Low (pH 4.5-6) 0.69 4.55 -10.77 1 5 0 66 326.274 4 ↓
Lo Low (pH 4.5-6) 0.69 4.71 -12.33 1 5 0 66 326.274 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methyl-benzamide N-cyclopropyl-N-[(3R)-2,5-dioxop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.44 0.59 -37.44 0 6 -1 82 301.322 4 ↓
Lo Low (pH 4.5-6) 0.25 3.59 -9.77 1 6 0 76 302.33 4 ↓
Lo Low (pH 4.5-6) 0.25 4.94 -12.68 1 6 0 76 302.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-fluoro-benzamide N-cyclopropyl-N-[(3R)-2,5-dioxop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.14 -4.31 -42.38 0 5 -1 73 275.259 3 ↓
Lo Low (pH 4.5-6) -0.04 3.24 -8.78 1 5 0 66 276.267 3 ↓
Lo Low (pH 4.5-6) -0.04 0.96 -14.47 1 5 0 66 276.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-3,5-dimethyl-benzamide N-cyclopropyl-N-[(3R)-2,5-dioxop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.83 1.92 -39.66 0 5 -1 73 285.323 3 ↓
Lo Low (pH 4.5-6) 0.64 5.39 -15.42 1 5 0 66 286.331 3 ↓
Lo Low (pH 4.5-6) 0.64 4.48 -7.5 1 5 0 66 286.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-benzamide N-cyclopropyl-N-[(3R)-2,5-dioxop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.12 2.23 -44.18 0 5 -1 73 275.259 3 ↓
Lo Low (pH 4.5-6) -0.07 3.63 -12.59 1 5 0 66 276.267 3 ↓
Lo Low (pH 4.5-6) -0.07 3.67 -12.65 1 5 0 66 276.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.15 1.8 -44.06 0 7 -1 99 315.305 5 ↓
Lo Low (pH 4.5-6) -0.04 3.84 -11.58 1 7 0 93 316.313 5 ↓
Lo Low (pH 4.5-6) -0.04 4.16 -16.07 1 7 0 93 316.313 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]benzamide 3,4-dichloro-N-cyclopropyl-N-[(3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.29 -2.48 -36.72 0 5 -1 73 326.159 3 ↓
Lo Low (pH 4.5-6) 1.10 4.64 -8.33 1 5 0 66 327.167 3 ↓
Lo Low (pH 4.5-6) 1.10 1.99 -14.2 1 5 0 66 327.167 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-4-nitro-benzamide N-cyclopropyl-N-[(3R)-2,5-dioxop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.05 2.02 -39.59 0 8 -1 119 320.256 4 ↓
Lo Low (pH 4.5-6) -0.13 5.41 -15.4 1 8 0 112 321.264 4 ↓
Lo Low (pH 4.5-6) -0.13 4.32 -12.45 1 8 0 112 321.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]benzamide 4-cyano-N-cyclopropyl-N-[(3R)-2,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.24 1.58 -40.21 0 6 -1 97 282.279 3 ↓
Lo Low (pH 4.5-6) -0.43 4.13 -14.46 1 6 0 90 283.287 3 ↓
Lo Low (pH 4.5-6) -0.43 3.92 -11.77 1 6 0 90 283.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]benzamide 3-chloro-N-cyclopropyl-N-[(3R)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.66 1.32 -37.67 0 5 -1 73 291.714 3 ↓
Lo Low (pH 4.5-6) 0.47 1.54 -13.82 1 5 0 66 292.722 3 ↓
Lo Low (pH 4.5-6) 0.47 4.38 -8.92 1 5 0 66 292.722 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-(difluoromethoxy)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]benzamide N-cyclopropyl-3-(difluoromethoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.59 0.63 -45.75 0 6 -1 82 323.275 5 ↓
Lo Low (pH 4.5-6) 0.41 3.2 -12.97 1 6 0 76 324.283 5 ↓
Lo Low (pH 4.5-6) 0.41 3.13 -11.4 1 6 0 76 324.283 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.17 1.87 -40.67 0 7 -1 99 315.305 5 ↓
Lo Low (pH 4.5-6) -0.01 4.4 -15.31 1 7 0 93 316.313 5 ↓
Lo Low (pH 4.5-6) -0.01 3.87 -10.69 1 7 0 93 316.313 5 ↓

Parameters Provided:

ring.id = 311831
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 = 311831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=311831&filter.purchasability=annotated

Embed Link to Results