UCSF

ZINC26385766

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 25 Yes

Popular Name: (1-((2'-Diethylamino)ethyl)amino)-4-methoxythioxanthenone; 1-((2-(Diethylamino)ethyl)amino)-4-methoxythioxanthen-9-one; 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methoxy-; BRN 0337482; LS-153694; NSC 302338; Thioxanthen-9-one, 1-((2-(diethy (1-((2'-Diethylamino)ethyl)amino…

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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) 5.00 9.55 -95.9 3 4 2 48 358.507 6 ↓
Hi High (pH 8-9.5) 4.81 7.66 -8.76 1 4 0 42 356.491 7 ↓
Hi High (pH 8-9.5) 5.00 7.35 -33.22 2 4 1 47 357.499 6 ↓

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