UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41200873
41200873

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Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]cyclopropanamine N-[(S)-5,6-dihydro-4H-cyclopenta…

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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) 1.65 6.45 -36.85 2 4 1 47 275.401 4 ↓
Mid Mid (pH 6-8) 1.65 5.19 -7.84 1 4 0 43 274.393 4 ↓

Analogs

41200870
41200870

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Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(1-methylpyrazol-4-yl)methyl]cyclopropanamine N-[(R)-5,6-dihydro-4H-cyclopenta…

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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) 1.65 6.49 -37.09 2 4 1 47 275.401 4 ↓
Mid Mid (pH 6-8) 1.65 5.19 -9.47 1 4 0 43 274.393 4 ↓

Analogs

41201244
41201244

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Popular Name: N-[(S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine N-[(S)-5,6-dihydro-4H-cyclopenta…

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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) 2.09 7.7 -34.93 2 4 1 47 303.455 4 ↓
Mid Mid (pH 6-8) 2.09 6.32 -10.01 1 4 0 43 302.447 4 ↓

Analogs

41201241
41201241

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Popular Name: N-[(R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine N-[(R)-5,6-dihydro-4H-cyclopenta…

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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) 2.09 7.95 -34.79 2 4 1 47 303.455 4 ↓
Mid Mid (pH 6-8) 2.09 6.56 -7.15 1 4 0 43 302.447 4 ↓

Parameters Provided:

ring.id = 521751
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 = 521751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=521751&filter.purchasability=annotated

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