UCSF

ZINC05159569

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 16 No

Popular Name: LS-153409; Sodium pyridoxine-5-thiosulfate; Thiosulfuric acid, S-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl) ester, monosodium salt LS-153409; Sodium pyridoxine-5-t…

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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) -2.33 -2.84 -47.34 2 6 -1 115 264.304 4 ↓
Hi High (pH 8-9.5) -2.33 -3.25 -95.65 1 6 -2 113 263.296 4 ↓
Mid Mid (pH 6-8) -2.33 -4.02 -40.97 2 6 -1 111 264.304 4 ↓

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