UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

88349
88349

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy(hydroxymethyl)BLAHone hydroxy(hydroxymethyl)BLAHone

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) -0.86 -7.27 -23.68 2 7 0 94 226.188 1 ↓

Analogs

183430
183430
4011266
4011266

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-(hydroxymethyl)-methyl-BLAHone hydroxy-(hydroxymethyl)-methyl-B…

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) -0.16 -6.63 -22.82 2 7 0 94 240.215 1 ↓

Analogs

183430
183430
4011266
4011266

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-(hydroxymethyl)-methyl-BLAHone hydroxy-(hydroxymethyl)-methyl-B…

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) -0.16 -6.94 -19.87 2 7 0 94 240.215 1 ↓

Analogs

183430
183430

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2'-Anhydro-5-methyluridine 2,2'-Anhydro-5-methyluridine

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) -0.16 -7.18 -20.03 2 7 0 94 240.215 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl(trityloxymethyl)BLAHone methyl(trityloxymethyl)BLAHone

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) 5.25 9.21 -25.45 0 6 0 63 466.537 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl(trityloxymethyl)BLAHone methyl(trityloxymethyl)BLAHone

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) 5.25 8.79 -18.63 0 6 0 63 466.537 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-methyl-(trityloxymethyl)BLAHone hydroxy-methyl-(trityloxymethyl)…

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) 5.29 6.41 -20.95 1 7 0 83 482.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-methyl-(trityloxymethyl)BLAHone hydroxy-methyl-(trityloxymethyl)…

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) 5.29 6.13 -22.95 1 7 0 83 482.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-methyl-(trityloxymethyl)BLAHone hydroxy-methyl-(trityloxymethyl)…

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) 5.29 7.26 -30.31 1 7 0 83 482.536 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: hydroxy-methyl-(trityloxymethyl)BLAHone hydroxy-methyl-(trityloxymethyl)…

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) 5.29 5.7 -20.44 1 7 0 83 482.536 6 ↓

Parameters Provided:

ring.id = 13752
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 = 13752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=13752&filter.purchasability=annotated

Embed Link to Results