UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6537056
6537056

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

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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) 1.38 5.2 -45.34 0 4 -1 42 237.333 3 ↓
Lo Low (pH 4.5-6) 1.38 5.65 -60.53 1 4 0 43 238.341 3 ↓

Analogs

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

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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) 1.76 6.15 -45.71 0 4 -1 42 251.36 4 ↓
Lo Low (pH 4.5-6) 1.76 6.6 -61.36 1 4 0 43 252.368 4 ↓

Analogs

6586920
6586920

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

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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) 0.83 6.54 -49.3 0 6 -1 82 295.369 6 ↓
Lo Low (pH 4.5-6) 0.83 7 -67.71 1 6 0 83 296.377 6 ↓

Analogs

6586920
6586920

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

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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) 1.21 7.49 -49.17 0 6 -1 82 309.396 7 ↓
Lo Low (pH 4.5-6) 1.21 7.95 -68.03 1 6 0 83 310.404 7 ↓

Analogs

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

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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) 0.62 2.99 -8.49 1 4 0 51 192.247 3 ↓
Lo Low (pH 4.5-6) 0.62 3.45 -41.26 2 4 1 52 193.255 3 ↓

Analogs

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

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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) 1.18 3.79 -8.74 1 4 0 51 206.274 3 ↓
Lo Low (pH 4.5-6) 1.18 4.24 -41.59 2 4 1 52 207.282 3 ↓

Analogs

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

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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) 1.18 3.78 -8.76 1 4 0 51 206.274 3 ↓
Lo Low (pH 4.5-6) 1.18 4.24 -41.6 2 4 1 52 207.282 3 ↓

Analogs

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Popular Name: N-[(2-methoxy-4-pyridyl)methyl]-1,3,4-thiadiazol-2-amine N-[(2-methoxy-4-pyridyl)methyl]-…

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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) 1.02 1.47 -9.23 1 5 0 60 222.273 4 ↓

Parameters Provided:

ring.id = 5085
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 = 5085 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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