UCSF

ZINC33826607

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 18 Yes

Popular Name: 2-(4H-2,3-Dihydro-1,4-benzoxazin-3-one-4-ylmethyl)morpholine hydrogen oxalate; 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-morpholinylmethyl)-, ethanedioate (1:1); 4-(2-Morpholinylmethyl)-2H-1,4-benzoxazin-3(4H)-one ethanedioate (1:1); LS-42040 2-(4H-2,3-Dihydro-1,4-benzoxazin…

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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) 0.50 3.59 -48.31 2 5 1 55 249.29 2 ↓
Hi High (pH 8-9.5) 0.50 2.23 -10.22 1 5 0 51 248.282 2 ↓
Mid Mid (pH 6-8) 2.31 3.82 -17.95 1 7 0 92 417.31 4 ↓

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