UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

59309092
59309092
59309094
59309094
35719060
35719060
35719048
35719048
35719050
35719050

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Popular Name: 1-(aminomethyl)-N-cyclopropyl-N-(3-thienylmethyl)cyclopentanamine 1-(aminomethyl)-N-cyclopropyl-N-…

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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) 1.97 5.1 -41.37 3 2 1 31 251.419 5 ↓
Mid Mid (pH 6-8) 1.97 6.76 -114.67 4 2 2 32 252.427 5 ↓

Analogs

35719200
35719200
35719199
35719199
35719195
35719195
35719196
35719196
35719197
35719197

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Popular Name: (1S,2R)-2-[cyclopropyl(3-thienylmethyl)amino]cyclopentanecarbonitrile (1S,2R)-2-[cyclopropyl(3-thienyl…

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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) 2.75 9.05 -37.14 1 2 1 28 247.387 4 ↓
Hi High (pH 8-9.5) 2.75 7.51 -6.4 0 2 0 27 246.379 4 ↓

Analogs

35719200
35719200
35719199
35719199
35719195
35719195
35719196
35719196
35719197
35719197

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclopropyl(3-thienylmethyl)amino]cyclopentanecarbonitrile (1S,2S)-2-[cyclopropyl(3-thienyl…

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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) 2.75 9.24 -42.69 1 2 1 28 247.387 4 ↓
Hi High (pH 8-9.5) 2.75 6.81 -6.38 0 2 0 27 246.379 4 ↓

Analogs

36099398
36099398
36099400
36099400

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclopropyl(3-thienylmethyl)amino]cyclopentanol (1S,2R)-2-[cyclopropyl(3-thienyl…

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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) 1.95 6.41 -28.53 2 2 1 25 238.376 4 ↓

Analogs

36099398
36099398
36099400
36099400

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclopropyl(3-thienylmethyl)amino]cyclopentanol (1S,2S)-2-[cyclopropyl(3-thienyl…

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) 1.95 6.05 -30.61 2 2 1 25 238.376 4 ↓

Parameters Provided:

ring.id = 620301
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 = 620301 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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