UCSF

ZINC31983027

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 29 Yes

Popular Name: 4'-(4,4-Dimethyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)-2-morpholinoacetanilide; Acetamide, N-(4-(4,4-dimethyl-3-oxo-1,2,3,4-tetrahydroisoquinolyl)phenyl)-2-morpholino-; Acetanilide, 4'-(4,4-dimethyl-3-oxo-1,2,3,4-tetrahydroisoquinol-1-yl)-2-(morpholino)- 4'-(4,4-Dimethyl-3-oxo-1,2,3,4-t…

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Annotations

Vendors

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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) 2.98 5.22 -16.93 2 6 0 71 393.487 4 ↓
Lo Low (pH 4.5-6) 2.98 7.43 -48.27 3 6 1 72 394.495 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )