UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34926402
34926402
34926403
34926403
34926404
34926404

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclopropyl-[[(3S)-tetrahydrofuran-3-yl]methyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[cyclopropyl-[[(3S)-te…

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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) 0.87 6.11 -52.72 0 5 -1 70 252.29 5 ↓
Lo Low (pH 4.5-6) 0.87 4.46 -13.38 1 5 0 67 253.298 5 ↓

Analogs

34926402
34926402
34926403
34926403
34926404
34926404

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclopropyl-[[(3R)-tetrahydrofuran-3-yl]methyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[cyclopropyl-[[(3R)-te…

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) 0.87 6.85 -60.34 0 5 -1 70 252.29 5 ↓
Lo Low (pH 4.5-6) 0.87 4.6 -15.08 1 5 0 67 253.298 5 ↓

Analogs

34926402
34926402
34926403
34926403
34926404
34926404

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclopropyl-[[(3S)-tetrahydrofuran-3-yl]methyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[cyclopropyl-[[(3S)-te…

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) 0.87 6.09 -51.21 0 5 -1 70 252.29 5 ↓
Lo Low (pH 4.5-6) 0.87 4.1 -10.13 1 5 0 67 253.298 5 ↓

Analogs

34926402
34926402
34926403
34926403
34926404
34926404

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclopropyl-[[(3R)-tetrahydrofuran-3-yl]methyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[cyclopropyl-[[(3R)-te…

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) 0.87 6.23 -49.65 0 5 -1 70 252.29 5 ↓
Lo Low (pH 4.5-6) 0.87 4.24 -9.52 1 5 0 67 253.298 5 ↓

Parameters Provided:

ring.id = 581839
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 = 581839 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=581839&filter.purchasability=annotated

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