UCSF
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Analogs

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Popular Name: N-(2-furylmethyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine N-(2-furylmethyl)-2-[(5-methyl-1…

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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) 0.59 0.59 -49.52 2 5 1 69 240.308 6 ↓
Hi High (pH 8-9.5) 0.59 -0.78 -9.72 1 5 0 64 239.3 6 ↓

Analogs

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Popular Name: (2S)-N-(2-furylmethyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (2S)-N-(2-furylmethyl)-2-[(5-met…

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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) 0.95 1.58 -49.02 2 5 1 69 254.335 6 ↓
Hi High (pH 8-9.5) 0.95 0.19 -9.87 1 5 0 64 253.327 6 ↓

Analogs

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Popular Name: (2R)-N-(2-furylmethyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-amine (2R)-N-(2-furylmethyl)-2-[(5-met…

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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) 0.95 1.58 -48.85 2 5 1 69 254.335 6 ↓
Hi High (pH 8-9.5) 0.95 0.32 -9.85 1 5 0 64 253.327 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine N-[(1S)-1-(2-furyl)ethyl]-2-[(5-…

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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) 1.15 1.07 -46.52 2 5 1 69 254.335 6 ↓
Hi High (pH 8-9.5) 1.15 -0.12 -10 1 5 0 64 253.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-furyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine N-[(1R)-1-(2-furyl)ethyl]-2-[(5-…

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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) 1.15 1.07 -46.52 2 5 1 69 254.335 6 ↓
Hi High (pH 8-9.5) 1.15 -0.14 -9.6 1 5 0 64 253.327 6 ↓

Parameters Provided:

ring.id = 99365
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 = 99365 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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