UCSF

ZINC05178689

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 13 No

Popular Name: LS-88464; Lysine, N(sup 6)-(2-mercaptoethyl)-, hydrochloride, hydrate (3:6:1), DL-; N(sup 6)-(2-Mercaptoethyl)lysine dihydrochloride hydrate LS-88464; Lysine, N(sup 6)-(2-me…

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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) -2.23 2.84 -86.6 5 4 1 84 207.319 8 ↓
Hi High (pH 8-9.5) -2.23 3.38 -87.89 5 4 0 84 206.311 8 ↓
Hi High (pH 8-9.5) -2.23 2.51 -71.55 4 4 0 83 206.311 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.