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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methylBLAHone methylBLAHone

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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) 1.11 0.69 -65.22 1 4 0 53 191.234 0 ↓
Lo Low (pH 4.5-6) 0.65 2.53 -46.59 2 4 1 50 192.242 0 ↓

Analogs

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Popular Name: chloro(methyl)BLAH chloro(methyl)BLAH

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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) 2.01 2.08 -5.8 0 3 0 29 209.68 0 ↓
Mid Mid (pH 6-8) 2.01 4.63 -45.17 1 3 1 30 210.688 0 ↓

Analogs

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Popular Name: methylBLAHamine methylBLAHamine

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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) 0.81 2.98 -42.74 3 4 1 56 191.258 0 ↓
Hi High (pH 8-9.5) 0.81 0.43 -7.45 2 4 0 55 190.25 0 ↓
Lo Low (pH 4.5-6) 0.81 3.12 -92.32 4 4 2 57 192.266 0 ↓

Analogs

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Popular Name: N-dimethylBLAHamine N-dimethylBLAHamine

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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) 1.19 3.9 -42.67 2 4 1 42 205.285 1 ↓
Lo Low (pH 4.5-6) 1.19 4.02 -91.49 3 4 2 43 206.293 1 ↓

Analogs

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Popular Name: N-dimethylBLAHamine N-dimethylBLAHamine

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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) 1.19 3.9 -42.67 2 4 1 42 205.285 1 ↓

Analogs

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Popular Name: N-ethyl-methyl-BLAHamine N-ethyl-methyl-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) 1.56 4.7 -42.44 2 4 1 42 219.312 2 ↓
Lo Low (pH 4.5-6) 1.56 4.87 -87.62 3 4 2 43 220.32 2 ↓
Lo Low (pH 4.5-6) 1.56 4.84 -92.04 3 4 2 43 220.32 2 ↓

Analogs

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Popular Name: N-ethyl-methyl-BLAHamine N-ethyl-methyl-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) 1.56 4.7 -42.47 2 4 1 42 219.312 2 ↓
Lo Low (pH 4.5-6) 1.56 4.87 -87.6 3 4 2 43 220.32 2 ↓
Lo Low (pH 4.5-6) 1.56 4.84 -92.06 3 4 2 43 220.32 2 ↓

Analogs

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Popular Name: (methylBLAHyl)hydrazine (methylBLAHyl)hydrazine

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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) 0.57 2.82 -44.18 4 5 1 68 206.273 1 ↓
Hi High (pH 8-9.5) 0.57 0.26 -8.57 3 5 0 67 205.265 1 ↓
Lo Low (pH 4.5-6) 0.57 2.95 -93.35 5 5 2 70 207.281 1 ↓

Parameters Provided:

ring.id = 370626
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 = 370626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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