UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19908497
19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[methyl-(1-methyl-4-piperidyl)amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-(1-methyl-4-piperidyl)…

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) 1.69 6.15 -68.48 1 4 0 33 244.389 2 ↓

Analogs

19908497
19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1-ethyl-4-piperidyl)-methyl-amino]-1,3,4-thiadiazole-2-thiol 5-[(1-ethyl-4-piperidyl)-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) 2.07 6.82 -66.68 1 4 0 33 258.416 3 ↓

Analogs

3296791
3296791
12976371
12976371
8157323
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[methyl-(1-methyl-4-piperidyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-(1-methyl-4-piperi…

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) 1.14 7.5 -74.27 1 6 0 74 302.425 5 ↓

Analogs

3296791
3296791
12976371
12976371
8157323
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1-ethyl-4-piperidyl)-methyl-amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(1-ethyl-4-piperidyl)-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) 1.52 8.16 -72.59 1 6 0 74 316.452 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-methyl-4-piperidyl)-1,3,4-thiadiazol-2-amine N-(1-methyl-4-piperidyl)-1,3,4-t…

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) 0.93 4.25 -41.66 2 4 1 42 199.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1,3,4-thiadiazol-2-ylamino)-1-piperidyl]acetamide 2-[4-(1,3,4-thiadiazol-2-ylamino…

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) -0.34 1.15 -44.92 4 6 1 85 242.328 4 ↓
Mid Mid (pH 6-8) -0.34 -1.06 -11.96 3 6 0 84 241.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-ethyl-4-piperidyl)-1,3,4-thiadiazol-2-amine N-(1-ethyl-4-piperidyl)-1,3,4-th…

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 4.91 -40.25 2 4 1 42 213.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-propyl-4-piperidyl)-1,3,4-thiadiazol-2-amine N-(1-propyl-4-piperidyl)-1,3,4-t…

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) 1.81 5.65 -41.05 2 4 1 42 227.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-piperidyl)-1,3,4-thiadiazol-2-amine N-(4-piperidyl)-1,3,4-thiadiazol…

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) 0.34 2.02 -46.48 3 4 1 54 185.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1-propyl-4-piperidyl)amino]-1,3,4-thiadiazole-2-thiol 5-[(1-propyl-4-piperidyl)amino]-…

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) 2.33 6.09 -63.7 2 4 0 42 258.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1-propyl-4-piperidyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(1-propyl-4-piperidyl)ami…

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) 1.78 7.43 -70.68 2 6 0 82 316.452 7 ↓

Parameters Provided:

ring.id = 5175
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 = 5175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5175&filter.purchasability=annotated

Embed Link to Results