UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-cyclopentyl-2-imidazol-1-yl-cyclopentanamine (1S,2R)-N-cyclopentyl-2-imidazol…

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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) 2.06 8.17 -36.8 2 3 1 34 220.34 3 ↓
Mid Mid (pH 6-8) 2.06 8.68 -100.16 3 3 2 36 221.348 3 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-cyclopentyl-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-cyclopentyl-2-imidazol…

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) 2.06 7.98 -44.84 2 3 1 34 220.34 3 ↓
Mid Mid (pH 6-8) 2.06 8.49 -95.63 3 3 2 36 221.348 3 ↓

Analogs

19090131
19090131
19090134
19090134

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-cyclopentyl-2-imidazol-1-yl-cyclopentanamine (1R,2R)-N-cyclopentyl-2-imidazol…

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) 2.06 8.09 -45.23 2 3 1 34 220.34 3 ↓
Mid Mid (pH 6-8) 2.06 8.6 -96.14 3 3 2 36 221.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-cyclopentyl-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-cyclopentyl-2-imidazol…

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) 2.06 8.11 -37.12 2 3 1 34 220.34 3 ↓
Mid Mid (pH 6-8) 2.06 8.62 -98.55 3 3 2 36 221.348 3 ↓

Parameters Provided:

ring.id = 150247
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 = 150247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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