UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-N-cyclopropyl-N-methyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-cycloprop…

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) 1.73 6.24 -28.26 1 2 1 17 250.185 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-cyclopropyl-N-methyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-cycloprop…

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) 1.73 6.23 -28.24 1 2 1 17 250.185 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-N-cyclopropyl-N-ethyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-cycloprop…

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) 2.10 7 -27.73 1 2 1 17 264.212 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-cyclopropyl-N-ethyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-cycloprop…

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) 2.10 7.01 -27.7 1 2 1 17 264.212 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-N-cyclopropyl-N-propyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-cycloprop…

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) 2.61 7.78 -27.64 1 2 1 17 278.239 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-cyclopropyl-N-propyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-cycloprop…

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) 2.61 7.79 -27.68 1 2 1 17 278.239 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-cycloprop…

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) 2.65 7.37 -31.69 1 2 1 17 318.182 5 ↓
Hi High (pH 8-9.5) 2.65 6.34 -6.05 0 2 0 16 317.174 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-cycloprop…

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) 2.65 7.39 -31.71 1 2 1 17 318.182 5 ↓
Hi High (pH 8-9.5) 2.65 6.34 -6.19 0 2 0 16 317.174 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-N-butyl-N-cyclopropyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-butyl-N-c…

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) 3.17 8.56 -28.06 1 2 1 17 292.266 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-butyl-N-cyclopropyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-butyl-N-c…

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) 3.17 8.57 -28.06 1 2 1 17 292.266 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-N-cyclopropyl-N-isobutyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-cycloprop…

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) 2.85 8.2 -27.7 1 2 1 17 292.266 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-cyclopropyl-N-isobutyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-cycloprop…

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) 2.85 8.2 -27.74 1 2 1 17 292.266 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-cycloprop…

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) 1.71 6.39 -26.21 1 3 1 26 294.238 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-cycloprop…

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) 1.71 6.39 -26.23 1 3 1 26 294.238 6 ↓

Parameters Provided:

ring.id = 444343
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 = 444343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=444343&filter.purchasability=annotated

Embed Link to Results