UCSF
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Analogs

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Popular Name: N-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-1,3,4-thiadiazol-2-amine N-[(1R,8R)-2,3,5,6,7,8-hexahydro…

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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) 1.05 5.03 -40.6 2 4 1 42 211.314 2 ↓
Mid Mid (pH 6-8) 1.05 2.53 -6.13 1 4 0 41 210.306 2 ↓

Analogs

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Popular Name: N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-1,3,4-thiadiazol-2-amine N-[(1S,8R)-2,3,5,6,7,8-hexahydro…

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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) 1.05 4.35 -40.38 2 4 1 42 211.314 2 ↓
Mid Mid (pH 6-8) 1.05 1.84 -6.43 1 4 0 41 210.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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) 1.57 5.44 -63.06 2 4 0 42 242.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R,8S)-2,3,5,6,7,8-hexahydr…

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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) 1.57 4.79 -62.64 2 4 0 42 242.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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) 1.57 4.83 -62.49 2 4 0 42 242.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S,8S)-2,3,5,6,7,8-hexahydr…

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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) 1.57 4.9 -61.76 2 4 0 42 242.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]aceti 2-[[5-[[(1R,8R)-2,3,5,6,7,8-hexa…

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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 6.78 -70.87 2 6 0 82 300.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]aceti 2-[[5-[[(1R,8S)-2,3,5,6,7,8-hexa…

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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 6.13 -70.63 2 6 0 82 300.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]aceti 2-[[5-[[(1S,8R)-2,3,5,6,7,8-hexa…

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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 6.18 -70.52 2 6 0 82 300.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]aceti 2-[[5-[[(1S,8S)-2,3,5,6,7,8-hexa…

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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 6.24 -69.32 2 6 0 82 300.409 5 ↓

Parameters Provided:

ring.id = 506714
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 = 506714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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