UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(aminomethyl)-N-[(2S)-2-(1-piperidyl)propyl]cyclopentanecarboxamide 1-(aminomethyl)-N-[(2S)-2-(1-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) 1.30 4.91 -113.78 5 4 2 61 269.433 5 ↓

Analogs

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Popular Name: 1-(aminomethyl)-N-[(2R)-2-(1-piperidyl)propyl]cyclopentanecarboxamide 1-(aminomethyl)-N-[(2R)-2-(1-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) 1.30 5.89 -111.52 5 4 2 61 269.433 5 ↓

Analogs

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Popular Name: (1R,3S)-N3-ethyl-1,2,2-trimethyl-N1-[2-(1-piperidyl)ethyl]cyclopentane-1,3-dicarboxamide (1R,3S)-N3-ethyl-1,2,2-trimethyl…

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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) 2.71 7.07 -48.61 3 5 1 63 338.516 6 ↓

Analogs

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Popular Name: 1-cyano-N-[2-(4-methyl-1-piperidyl)ethyl]cyclopentanecarboxamide 1-cyano-N-[2-(4-methyl-1-piperid…

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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) 2.19 7.04 -42.27 2 4 1 57 264.393 4 ↓
Hi High (pH 8-9.5) 2.05 5.06 -31.06 1 4 0 64 263.385 4 ↓

Analogs

44825381
44825381
44825382
44825382
44825387
44825387
44825388
44825388
44825389
44825389

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyano-N-[(2S)-2-(4-methyl-1-piperidyl)propyl]cyclopentanecarboxamide 1-cyano-N-[(2S)-2-(4-methyl-1-pi…

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) 2.53 7.69 -41.3 2 4 1 57 278.42 4 ↓
Hi High (pH 8-9.5) 2.38 5.82 -27.12 1 4 0 64 277.412 4 ↓

Analogs

44825381
44825381
44825382
44825382
44825387
44825387
44825388
44825388
44825389
44825389

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyano-N-[(2R)-2-(4-methyl-1-piperidyl)propyl]cyclopentanecarboxamide 1-cyano-N-[(2R)-2-(4-methyl-1-pi…

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) 2.53 7.64 -39.22 2 4 1 57 278.42 4 ↓
Hi High (pH 8-9.5) 2.38 5.83 -22.99 1 4 0 64 277.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-amino-N-[2-(1-piperidyl)ethyl]cyclopentanecarboxamide 1-amino-N-[2-(1-piperidyl)ethyl]…

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) 1.24 3.76 -108.56 5 4 2 61 241.379 4 ↓
Hi High (pH 8-9.5) 1.24 3.53 -40.36 4 4 1 60 240.371 4 ↓

Parameters Provided:

ring.id = 14617
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 = 14617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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