UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.47 3.76 -38.4 3 4 1 49 266.409 4 ↓
Hi High (pH 8-9.5) 1.47 2.85 -5.97 2 4 0 44 265.401 4 ↓
Mid Mid (pH 6-8) 1.47 5.34 -36.15 3 4 1 46 266.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]propanamide (2R)-N-cyclopentyl-2-[[(1R,8R)-2…

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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) 1.47 3.81 -37.3 3 4 1 49 266.409 4 ↓
Hi High (pH 8-9.5) 1.47 3.06 -7.09 2 4 0 44 265.401 4 ↓
Mid Mid (pH 6-8) 1.47 5.56 -37.53 3 4 1 46 266.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.47 3.4 -38.15 3 4 1 49 266.409 4 ↓
Hi High (pH 8-9.5) 1.47 2.34 -6.96 2 4 0 44 265.401 4 ↓
Mid Mid (pH 6-8) 1.47 4.86 -35.21 3 4 1 46 266.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.47 3.37 -37.88 3 4 1 49 266.409 4 ↓
Hi High (pH 8-9.5) 1.47 2.29 -8.01 2 4 0 44 265.401 4 ↓
Mid Mid (pH 6-8) 1.47 4.8 -37.12 3 4 1 46 266.409 4 ↓

Parameters Provided:

ring.id = 589100
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 = 589100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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