UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(phenylBLAHyl)methyl]phenol 3-[(phenylBLAHyl)methyl]phenol

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) 3.81 7.21 -34.52 2 3 1 28 335.471 3 ↓
Mid Mid (pH 6-8) 3.81 6.21 -3.81 1 3 0 27 334.463 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(phenylBLAHyl)methyl]benzoic 4-[(phenylBLAHyl)methyl]benzoic

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) 4.22 12.2 -74.53 1 4 0 48 362.473 4 ↓
Mid Mid (pH 6-8) 4.22 11.6 -73.07 1 4 0 48 362.473 4 ↓
Mid Mid (pH 6-8) 4.22 9.91 -50.01 0 4 -1 47 361.465 4 ↓

Parameters Provided:

ring.id = 26115
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 = 26115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=26115&filter.purchasability=annotated

Embed Link to Results