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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]tetrazole-5-thiol 1-[(1S,8S)-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) 0.57 4.57 -49.13 1 5 0 48 211.294 1 ↓
Mid Mid (pH 6-8) 0.57 2.01 -35.03 0 5 -1 47 210.286 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]tetrazol-5-yl]sulfanylacetic 2-[1-[(1R,8R)-2,3,5,6,7,8-hexahy…

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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) 0.02 6.22 -62.24 1 7 0 88 269.33 4 ↓
Mid Mid (pH 6-8) 0.02 3.69 -39.65 0 7 -1 87 268.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]tetrazol-5-yl]sulfanylacetic 2-[1-[(1R,8S)-2,3,5,6,7,8-hexahy…

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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) 0.02 5.8 -59.33 1 7 0 88 269.33 4 ↓
Mid Mid (pH 6-8) 0.02 3.22 -40.54 0 7 -1 87 268.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]tetrazol-5-yl]sulfanylacetic 2-[1-[(1S,8R)-2,3,5,6,7,8-hexahy…

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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) 0.02 5.84 -59.41 1 7 0 88 269.33 4 ↓
Mid Mid (pH 6-8) 0.02 3.29 -40.48 0 7 -1 87 268.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]tetrazol-5-yl]sulfanylacetic 2-[1-[(1S,8S)-2,3,5,6,7,8-hexahy…

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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) 0.02 5.88 -62.53 1 7 0 88 269.33 4 ↓
Mid Mid (pH 6-8) 0.02 3.32 -39.26 0 7 -1 87 268.322 4 ↓

Parameters Provided:

ring.id = 589559
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 = 589559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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