UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41195392
41195392
41191917
41191917
41191920
41191920

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-propyl-indan-1-amine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.12 9.16 -30.64 2 2 1 29 299.463 4 ↓
Mid Mid (pH 6-8) 4.12 8.25 -7.07 1 2 0 25 298.455 4 ↓
Lo Low (pH 4.5-6) 4.12 9.8 -92.76 3 2 2 31 300.471 4 ↓

Analogs

41191917
41191917
41195390
41195390
41191920
41191920

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-propyl-indan-1-amine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.12 9.4 -32.81 2 2 1 29 299.463 4 ↓
Mid Mid (pH 6-8) 4.12 8.33 -6.02 1 2 0 25 298.455 4 ↓
Lo Low (pH 4.5-6) 4.12 9.95 -92.83 3 2 2 31 300.471 4 ↓

Analogs

41197894
41197894
41201120
41201120
41201123
41201123
41191917
41191917
41191920
41191920

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-indan-1-amine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 3.91 8.63 -27.94 2 2 1 29 299.463 3 ↓
Hi High (pH 8-9.5) 3.91 8 -7.16 1 2 0 25 298.455 3 ↓

Analogs

41201120
41201120
41201123
41201123
41191917
41191917
41197892
41197892
41191920
41191920

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-indan-1-amine (1S)-1-(5,6-dihydro-4H-cyclopent…

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) 3.91 8.95 -31.05 2 2 1 29 299.463 3 ↓
Hi High (pH 8-9.5) 3.91 7.92 -6.41 1 2 0 25 298.455 3 ↓

Parameters Provided:

ring.id = 520993
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = bgt
iocnl3 = legacy
iosrct = trackref

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 = 520993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=520993&filter.purchasability=annotated

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