UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44679365
44679365
44679367
44679367
44679369
44679369
44679370
44679370
45655701
45655701

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,N-dimethyl-1-[[(2S)-2-piperidyl]methyl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[[(2S)-2-pip…

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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) 1.17 4.59 -83.28 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.17 2.18 -36.33 2 3 1 23 212.361 3 ↓

Analogs

44679365
44679365
44679367
44679367
44679369
44679369
44679370
44679370
45655701
45655701

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-dimethyl-1-[[(2S)-2-piperidyl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[(2S)-2-pip…

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) 1.17 4.6 -84.67 3 3 2 24 213.369 3 ↓
Hi High (pH 8-9.5) 1.17 2.21 -35.99 2 3 1 23 212.361 3 ↓

Analogs

44679365
44679365
44679367
44679367
44679369
44679369
44679370
44679370
44679596
44679596

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,N-diethyl-1-[[(2S)-2-piperidyl]methyl]pyrrolidin-3-amine (3R)-N,N-diethyl-1-[[(2S)-2-pipe…

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) 1.92 6.03 -82.51 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 1.92 3.91 -31.7 2 3 1 23 240.415 5 ↓

Analogs

44679365
44679365
44679367
44679367
44679369
44679369
44679370
44679370
44679596
44679596

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N-diethyl-1-[[(2S)-2-piperidyl]methyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[[(2S)-2-pipe…

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) 1.92 5.65 -83.97 3 3 2 24 241.423 5 ↓
Hi High (pH 8-9.5) 1.92 3.52 -35.51 2 3 1 23 240.415 5 ↓

Parameters Provided:

ring.id = 322095
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 = 322095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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