UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine N-[(1R)-1-(2,4-dimethylthiazol-5…

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) 1.57 4.03 -8.56 1 4 0 51 240.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine N-[(1S)-1-(2,4-dimethylthiazol-5…

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) 1.57 4.05 -8.6 1 4 0 51 240.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methylthiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine N-[(2-methylthiazol-5-yl)methyl]…

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) 0.79 2.77 -8.51 1 4 0 51 212.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methylthiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine N-[(4-methylthiazol-5-yl)methyl]…

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) 1.30 2.55 -8.48 1 4 0 51 212.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R)-1-(2,4-dimethylthiazol-…

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) 2.09 4.47 -40.43 1 4 -1 51 271.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S)-1-(2,4-dimethylthiazol-…

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) 2.09 4.49 -40.42 1 4 -1 51 271.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-methylthiazol-5-yl)methylamino]-1,3,4-thiadiazole-2-thiol 5-[(2-methylthiazol-5-yl)methyla…

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) 1.31 3.2 -40.44 1 4 -1 51 243.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1R)-1-(2,4-dimethylthia…

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) 1.54 5.81 -44.95 1 6 -1 91 329.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[[(1S)-1-(2,4-dimethylthia…

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) 1.54 5.83 -44.95 1 6 -1 91 329.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2-methylthiazol-5-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2-methylthiazol-5-yl)met…

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) 0.76 4.54 -45.03 1 6 -1 91 301.398 6 ↓

Parameters Provided:

ring.id = 506658
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 = 506658 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=506658&filter.purchasability=annotated

Embed Link to Results