UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-chlorophenyl)BLAHdiamine (4-chlorophenyl)BLAHdiamine

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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) 4.16 9.08 -30.53 6 6 1 103 391.886 1 ↓
Mid Mid (pH 6-8) 4.16 8.56 -9.83 5 6 0 102 390.878 1 ↓
Lo Low (pH 4.5-6) 4.16 9.38 -88.63 7 6 2 105 392.894 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)BLAHdiamine (4-chlorophenyl)BLAHdiamine

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) 4.16 9.3 -30.74 6 6 1 103 391.886 1 ↓
Mid Mid (pH 6-8) 4.16 8.78 -9.8 5 6 0 102 390.878 1 ↓
Lo Low (pH 4.5-6) 4.16 9.58 -88.36 7 6 2 105 392.894 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)BLAHdiamine (4-chlorophenyl)BLAHdiamine

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) 4.16 9.3 -30.76 6 6 1 103 391.886 1 ↓
Mid Mid (pH 6-8) 4.16 8.78 -9.8 5 6 0 102 390.878 1 ↓
Lo Low (pH 4.5-6) 4.16 9.58 -88.38 7 6 2 105 392.894 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)BLAHdiamine (4-chlorophenyl)BLAHdiamine

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) 4.16 9.08 -30.47 6 6 1 103 391.886 1 ↓
Mid Mid (pH 6-8) 4.16 8.56 -9.86 5 6 0 102 390.878 1 ↓
Lo Low (pH 4.5-6) 4.16 9.37 -88.7 7 6 2 105 392.894 1 ↓

Parameters Provided:

ring.id = 38932
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 = 38932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=38932&filter.purchasability=annotated

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