UCSF
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Analogs

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Popular Name: (2S)-N-(2-furylmethyl)-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propanamide (2S)-N-(2-furylmethyl)-2-[[(4R)-…

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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) 1.28 5.59 -37.99 3 4 1 59 305.423 5 ↓
Mid Mid (pH 6-8) 1.28 5.02 -7.96 2 4 0 54 304.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propanamide (2R)-N-(2-furylmethyl)-2-[[(4R)-…

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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) 1.28 6.15 -40.09 3 4 1 59 305.423 5 ↓
Mid Mid (pH 6-8) 1.28 5.17 -9.53 2 4 0 54 304.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propanamide (2S)-N-(2-furylmethyl)-2-[[(4S)-…

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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) 1.28 6.18 -40.11 3 4 1 59 305.423 5 ↓
Mid Mid (pH 6-8) 1.28 5.17 -8.23 2 4 0 54 304.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propanamide (2R)-N-(2-furylmethyl)-2-[[(4S)-…

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) 1.28 5.63 -38.26 3 4 1 59 305.423 5 ↓
Mid Mid (pH 6-8) 1.28 5.14 -9.57 2 4 0 54 304.415 5 ↓

Parameters Provided:

ring.id = 211909
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 = 211909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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