UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42851474
42851474

Draw Identity 99% 90% 80% 70%

Popular Name: [tetraacetoxy-hydroxy-(1-hydroxy-1-methyl-ethyl)-dimethyl-BLAHyl] [tetraacetoxy-hydroxy-(1-hydroxy…

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) 2.23 7.99 -22.57 2 13 0 181 610.653 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dihydroxy-trimethyl-(2-methylprop-1-enyl)BLAHone dihydroxy-trimethyl-(2-methylpro…

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) 4.09 6.28 -8.12 2 4 0 67 320.429 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R,3aR,4S,6S,8S,8aS)-4,8-diacetoxy-6-butanoyloxy-3,8-dimethyl-5-methylene-1,2,3,3a,4,6,7,8a-oct [(2R,3R,3aR,4S,6S,8S,8aS)-4,8-di…

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) 5.48 15.21 -14.16 0 8 0 105 478.582 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cycloheptylideneethanamine 2-cycloheptylideneethanamine

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) 2.00 3.81 -41.18 3 1 1 28 140.25 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cycloheptylidenepropan-1-amine 3-cycloheptylidenepropan-1-amine

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 4.59 -42.13 3 1 1 28 154.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1aR,4aS,7R,7aS,7bS)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azule (1aR,4aS,7R,7aS,7bS)-1,1,7-trime…

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) 4.85 9.27 -0.48 0 0 0 0 204.357 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,5S,8S,8aR,9aR)-5,8-dihydroxy-5,8-dimethyl-1-methylene-3a,4,7,8a,9,9a-hexahydroazuleno[6,5-b]fur (3aR,5S,8S,8aR,9aR)-5,8-dihydrox…

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) 0.54 3.38 -12.74 2 4 0 67 264.321 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-…

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) 3.37 10.23 -18.45 3 11 0 166 580.671 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1aS,4aS,7S,7aS,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azule (1aS,4aS,7S,7aS,7bR)-1,1,7-trime…

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) 4.85 9.26 -0.3 0 0 0 0 204.357 0 ↓

Parameters Provided:

ring.id = 11534
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 = 11534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11534&filter.purchasability=annotated

Embed Link to Results