UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)BLAHamine N-(1H-imidazol-5-ylmethyl)BLAHamine

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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) 2.36 7.95 -34.2 3 3 1 45 232.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1H-imidazol-5-ylmethyl)BLAHamine N-(1H-imidazol-5-ylmethyl)BLAHamine

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) 2.36 7.22 -37.55 3 3 1 45 232.351 3 ↓

Analogs

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Popular Name: N-[(4-methyl-1H-imidazol-5-yl)methyl]BLAHamine N-[(4-methyl-1H-imidazol-5-yl)me…

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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) 2.59 8.49 -33.7 3 3 1 45 246.378 3 ↓
Lo Low (pH 4.5-6) 2.59 8.92 -101.92 4 3 2 47 247.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methyl-1H-imidazol-5-yl)methyl]BLAHamine N-[(4-methyl-1H-imidazol-5-yl)me…

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) 2.59 7.75 -37.2 3 3 1 45 246.378 3 ↓
Lo Low (pH 4.5-6) 2.59 8.18 -107.7 4 3 2 47 247.386 3 ↓

Analogs

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Popular Name: N-[(2-methyl-1H-imidazol-4-yl)methyl]BLAHamine N-[(2-methyl-1H-imidazol-4-yl)me…

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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) 2.45 7.81 -34.14 3 3 1 45 246.378 3 ↓
Lo Low (pH 4.5-6) 2.45 8.25 -101.21 4 3 2 47 247.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methyl-1H-imidazol-4-yl)methyl]BLAHamine N-[(2-methyl-1H-imidazol-4-yl)me…

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) 2.45 7.08 -37.48 3 3 1 45 246.378 3 ↓
Lo Low (pH 4.5-6) 2.45 7.52 -107.17 4 3 2 47 247.386 3 ↓

Parameters Provided:

ring.id = 152752
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 = 152752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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