UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[cyclopropylmethyl(ethyl)carbamoyl]cyclopropanecarboxylic 1-[cyclopropylmethyl(ethyl)carba…

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) 0.60 6.8 -44.19 0 4 -1 60 210.253 5 ↓
Lo Low (pH 4.5-6) 0.60 4.97 -10.99 1 4 0 58 211.261 5 ↓

Analogs

41680576
41680576
41680577
41680577
41680578
41680578
41680579
41680579
41680584
41680584

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyano-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclopropanecarboxamide 1-cyano-N-[[1-(hydroxymethyl)cyc…

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) -0.53 1.17 -8.53 2 4 0 73 194.234 4 ↓

Analogs

37460949
37460949
37460951
37460951
37460953
37460953

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1S)-1-cyclopropylet…

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) 2.14 7.48 -47.99 0 4 -1 60 278.25 6 ↓

Analogs

37460949
37460949
37460951
37460951
37460953
37460953

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1R)-1-cyclopropylet…

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) 2.14 7.71 -48.49 0 4 -1 60 278.25 6 ↓

Analogs

37460949
37460949
37460951
37460951
37460953
37460953

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1S)-1-cyclopropylet…

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) 2.14 7.5 -51.97 0 4 -1 60 278.25 6 ↓

Analogs

37460949
37460949
37460951
37460951
37460953
37460953

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclopropylethyl]-(2,2,2-trifluoroethyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1R)-1-cyclopropylet…

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) 2.14 7.74 -51.22 0 4 -1 60 278.25 6 ↓

Analogs

37895368
37895368
37460954
37460954
37460953
37460953
37460951
37460951

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1S)-1-cyclopropylet…

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) 1.20 7.12 -60.99 0 5 -1 70 254.306 7 ↓
Lo Low (pH 4.5-6) 1.20 5.05 -15.09 1 5 0 67 255.314 7 ↓

Analogs

37895368
37895368
37460954
37460954
37460953
37460953
37460951
37460951

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1R)-1-cyclopropylet…

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) 1.20 7.46 -64.68 0 5 -1 70 254.306 7 ↓
Lo Low (pH 4.5-6) 1.20 5.54 -14.97 1 5 0 67 255.314 7 ↓

Analogs

37895368
37895368
37460954
37460954
37460953
37460953
37460951
37460951

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1S)-1-cyclopropylet…

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) 1.20 7.33 -52.43 0 5 -1 70 254.306 7 ↓
Lo Low (pH 4.5-6) 1.20 5.35 -10.41 1 5 0 67 255.314 7 ↓

Analogs

37895368
37895368
37460954
37460954
37460953
37460953
37460951
37460951

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1R)-1-cyclopropylet…

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) 1.20 7.06 -52.33 0 5 -1 70 254.306 7 ↓
Lo Low (pH 4.5-6) 1.20 5.07 -9.13 1 5 0 67 255.314 7 ↓

Parameters Provided:

ring.id = 260521
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 = 260521 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=260521&filter.purchasability=annotated

Embed Link to Results