UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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) 1.58 3.11 -9.99 4 4 0 75 302.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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) 1.58 3.2 -9.94 4 4 0 75 302.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenethyl-5,6-dihydro-4H-cyclopenta[d]thiophene-2-carboxamide N-phenethyl-5,6-dihydro-4H-cyclo…

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) 3.49 8.39 -10.33 1 2 0 29 271.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]thiophene-2-carboxamide N-[2-(2-methoxyphenyl)ethyl]-5,6…

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) 3.50 7.78 -11.49 1 3 0 38 301.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[(2S)-2-amino-2-phenyl-ethyl]-…

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) 0.80 6.01 -54.26 4 3 1 57 287.408 4 ↓
Mid Mid (pH 6-8) 0.80 5.67 -9.21 3 3 0 55 286.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide N-[(2R)-2-amino-2-phenyl-ethyl]-…

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) 0.80 6.01 -54.27 4 3 1 57 287.408 4 ↓
Mid Mid (pH 6-8) 0.80 5.56 -8.54 3 3 0 55 286.4 4 ↓

Parameters Provided:

ring.id = 15699
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 = 15699 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15699&filter.purchasability=annotated

Embed Link to Results