UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44808797
44808797
44808800
44808800
44808801
44808801
44822449
44822449
44822452
44822452

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyano-N-(cyclobutylmethyl)cyclopentane-1-carboxamide 1-cyano-N-(cyclobutylmethyl)cycl…

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) 2.06 5.39 -7.44 1 3 0 53 206.289 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-cyclopentanecarboxamide 1-(aminomethyl)-N-(cyclobutylmet…

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) 0.99 4.73 -46.87 3 3 1 48 225.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-(cyclobutylmethyl)-N-methyl-cyclopentanecarboxamide 1-amino-N-(cyclobutylmethyl)-N-m…

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) 1.59 4.47 -48.96 3 3 1 48 211.329 3 ↓
Hi High (pH 8-9.5) 1.59 4.33 -7.33 2 3 0 46 210.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyano-N-(cyclobutylmethyl)-N-methyl-cyclopentanecarboxamide 1-cyano-N-(cyclobutylmethyl)-N-m…

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) 1.98 6.96 -6.39 0 3 0 44 220.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-carbamothioyl-N-(cyclobutylmethyl)-N-methyl-cyclopentanecarboxamide 1-carbamothioyl-N-(cyclobutylmet…

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) 1.11 5.46 -5.33 2 3 0 46 254.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-cyclopentanecarboxamide N-(cyclobutylmethyl)-1-[(Z)-N'-h…

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) 1.21 2.92 -5.43 3 5 0 79 253.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-(ethylcarbamoylamino)cyclopentanecarboxamide N-(cyclobutylmethyl)-1-(ethylcar…

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) 1.74 3.08 -15.53 3 5 0 70 267.373 5 ↓

Parameters Provided:

ring.id = 148460
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 = 148460 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=148460&filter.purchasability=annotated

Embed Link to Results