UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Clavamycin A Clavamycin A

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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) -5.30 -11.99 -86.29 6 13 0 196 414.371 7 ↓
Mid Mid (pH 6-8) -5.30 -12.29 -60.98 5 13 -1 195 413.363 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Clavamycin A Clavamycin A

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) -5.30 -12.43 -86.98 6 13 0 196 414.371 7 ↓
Mid Mid (pH 6-8) -5.30 -12.74 -60.78 5 13 -1 195 413.363 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 103059-93-4; C06667; Clavamycin A 103059-93-4; C06667; Clavamycin A

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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) -5.30 -11.17 -77.59 6 13 0 196 414.371 7 ↓
Mid Mid (pH 6-8) -5.30 -11.56 -62.43 5 13 -1 195 413.363 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 103059-93-4; C06667; Clavamycin A 103059-93-4; C06667; Clavamycin A

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) -5.30 -11.95 -76.95 6 13 0 196 414.371 7 ↓
Mid Mid (pH 6-8) -5.30 -12.3 -62.76 5 13 -1 195 413.363 7 ↓

Parameters Provided:

ring.id = 169572
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 = 169572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=169572&filter.purchasability=annotated

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