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

Analogs

8993178
8993178

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Popular Name: tetramethylBLAHone tetramethylBLAHone

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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) 2.32 -1.3 -17.62 0 5 0 57 315.398 0 ↓
Lo Low (pH 4.5-6) 2.32 -1.26 -36.73 1 5 1 58 316.406 0 ↓

Analogs

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Popular Name: trimethyl-phenacyl-BLAHone trimethyl-phenacyl-BLAHone

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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) 3.47 -0.49 -23.58 0 6 0 74 419.506 3 ↓
Lo Low (pH 4.5-6) 3.47 -0.45 -42.05 1 6 1 75 420.514 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.18 0.18 -21.72 0 7 0 83 373.434 3 ↓
Lo Low (pH 4.5-6) 2.18 0.22 -40.75 1 7 1 84 374.442 3 ↓

Analogs

8993178
8993178

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Popular Name: trimethyl-phenethyl-BLAHone trimethyl-phenethyl-BLAHone

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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) 4.12 -0.7 -18.02 0 5 0 57 405.523 3 ↓
Lo Low (pH 4.5-6) 4.12 -0.66 -37.96 1 5 1 58 406.531 3 ↓

Analogs

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Popular Name: 2-(trimethyl-oxo-BLAHyl)acetamide 2-(trimethyl-oxo-BLAHyl)acetamide

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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) 1.05 -3.88 -24.94 2 7 0 100 358.423 2 ↓
Lo Low (pH 4.5-6) 1.05 -3.83 -42.86 3 7 1 101 359.431 2 ↓

Analogs

8991375
8991375
8993178
8993178

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Popular Name: (2-chlorophenyl)methyl-trimethyl-BLAHone (2-chlorophenyl)methyl-trimethyl…

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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) 4.55 -1.22 -12.35 0 5 0 57 425.941 2 ↓
Lo Low (pH 4.5-6) 4.55 -1.18 -32.9 1 5 1 58 426.949 2 ↓

Analogs

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Popular Name: 2-furyl-dimethyl-(2-methylprop-2-enyl)BLAHone 2-furyl-dimethyl-(2-methylprop-2…

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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) 4.11 0.43 -17.11 0 6 0 70 407.495 3 ↓
Lo Low (pH 4.5-6) 4.11 0.5 -31.8 1 6 1 71 408.503 3 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-2-(trimethyl-oxo-BLAHyl)-acetamide N-(2-furylmethyl)-2-(trimethyl-o…

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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) 2.08 -2.23 -25.11 1 8 0 99 438.509 4 ↓
Lo Low (pH 4.5-6) 2.08 -2.19 -43.26 2 8 1 100 439.517 4 ↓

Parameters Provided:

ring.id = 7054
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 = 7054 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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