UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1546097
1546097
3960770
3960770

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A94046266-001-01-4 BRD-A94046266-001-01-4

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) 5.84 11.33 -2.76 1 1 0 20 350.546 1 ↓

Analogs

1546097
1546097
3960770
3960770

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A94046266-001-01-4 BRD-A94046266-001-01-4

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) 5.84 11.1 -3.22 1 1 0 20 350.546 1 ↓

Analogs

1546097
1546097
3960770
3960770

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A94046266-001-01-4 BRD-A94046266-001-01-4

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) 5.84 11 -3.35 1 1 0 20 350.546 1 ↓

Analogs

1546097
1546097
3960770
3960770

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A94046266-001-01-4 BRD-A94046266-001-01-4

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) 5.84 11.2 -3.19 1 1 0 20 350.546 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,5S,8R,9R,10S,13S,14S)-17-(N-hydroxy-C-methyl-carbonimidoyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,1 [(3R,5S,8R,9R,10S,13S,14S)-17-(N…

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) 5.15 10.23 -8.64 1 4 0 59 373.537 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,5S,8R,9R,10S,13S,14S)-17-(N-hydroxy-C-methyl-carbonimidoyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,1 [(3S,5S,8R,9R,10S,13S,14S)-17-(N…

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) 5.15 10.23 -9.38 1 4 0 59 373.537 3 ↓

Analogs

4029553
4029553
4029554
4029554
4029555
4029555
6396444
6396444
6396457
6396457

Draw Identity 99% 90% 80% 70%

Popular Name: butyric-acid-[(3R,5S,8S,9S,10S,13S,14R)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecah butyric-acid-[(3R,5S,8S,9S,10S,1…

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) 5.62 4.04 -10.38 0 3 0 43 386.576 5 ↓

Parameters Provided:

ring.id = 20312
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 = 20312 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=20312&filter.purchasability=annotated

Embed Link to Results