UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48353951
48353951
48353952
48353952
14249506
14249506

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

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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) 2.15 5.02 -47.33 0 4 -1 38 244.365 3 ↓

Analogs

48353951
48353951
48353952
48353952
14249506
14249506

Draw Identity 99% 90% 80% 70%

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

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) 2.15 5.18 -42.19 0 4 -1 38 244.365 3 ↓

Analogs

48355705
48355705
48355706
48355706
21737817
21737817
21737813
21737813
21737808
21737808

Draw Identity 99% 90% 80% 70%

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

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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) 1.60 6.36 -49.7 0 6 -1 78 302.401 6 ↓

Analogs

48355705
48355705
48355706
48355706
21737817
21737817
21737813
21737813
21737808
21737808

Draw Identity 99% 90% 80% 70%

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

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) 1.60 6.53 -45.24 0 6 -1 78 302.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-tetrahydropyran-2-yl]methyl]-1,3,4-thiadiazol-2-amine N-[[(2S)-tetrahydropyran-2-yl]me…

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) 1.39 2.84 -7.36 1 4 0 47 199.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-tetrahydropyran-2-yl]methyl]-1,3,4-thiadiazol-2-amine N-[[(2R)-tetrahydropyran-2-yl]me…

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) 1.39 2.9 -7.25 1 4 0 47 199.279 3 ↓

Parameters Provided:

ring.id = 5311
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 = 5311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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