UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6349371
6349371
6572941
6572941
6573530
6573530
6574393
6574393

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-3-phenyl-1-(4-pyridylmethyl)thiourea 1-cyclopropyl-3-phenyl-1-(4-pyri…

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) 2.07 9.02 -11.47 1 3 0 28 283.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-3-(2,4-difluorophenyl)-1-(4-pyridylmethyl)thiourea 1-cyclopropyl-3-(2,4-difluorophe…

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) 2.32 9.23 -11.56 1 3 0 28 319.38 6 ↓
Lo Low (pH 4.5-6) 2.32 9.51 -45.52 2 3 1 29 320.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-1-cyclopropyl-1-(4-pyridylmethyl)thiourea 3-(3-chlorophenyl)-1-cyclopropyl…

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) 2.72 9.54 -11.2 1 3 0 28 317.845 6 ↓
Lo Low (pH 4.5-6) 2.72 9.82 -46.43 2 3 1 29 318.853 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-1-(4-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea 1-cyclopropyl-1-(4-pyridylmethyl…

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) 2.94 10.06 -12.3 1 3 0 28 351.397 7 ↓

Analogs

6388200
6388200
6391346
6391346
6572941
6572941

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-3-(2-ethylphenyl)-1-(4-pyridylmethyl)thiourea 1-cyclopropyl-3-(2-ethylphenyl)-…

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) 2.94 10.39 -10.64 1 3 0 28 311.454 7 ↓

Parameters Provided:

ring.id = 43304
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 = 43304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=43304&filter.purchasability=annotated

Embed Link to Results