UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44405248
44405248
43450320
43450320

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Popular Name: Myelostat Myelostat

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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) 2.27 6.66 -57.6 2 10 -1 138 544.621 10 ↓
Lo Low (pH 4.5-6) 2.27 9 -79.24 3 10 0 139 545.629 10 ↓

Analogs

44405248
44405248
43450320
43450320

Draw Identity 99% 90% 80% 70%

Popular Name: Myelostat Myelostat

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) 2.27 6.48 -55.55 2 10 -1 138 544.621 10 ↓
Lo Low (pH 4.5-6) 2.27 8.86 -63.13 3 10 0 139 545.629 10 ↓

Analogs

38407959
38407959
38407960
38407960
38407961
38407961
38407962
38407962

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Popular Name: O1-(methoxyBLAHyl) O1-(methoxyBLAHyl)

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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) 1.96 5.62 -14.09 2 10 0 124 545.629 11 ↓

Parameters Provided:

ring.id = 196011
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 = 196011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=196011&filter.purchasability=annotated

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