UCSF

ZINC01731780

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 Yes

Popular Name: Boc-Asp-OH Boc-Asp-OH

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13726-67-5 , 62396-48-9 , [13726-67-5]

Download: MOL2 SDF SMILES Flexibase

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) 0.23 2.24 -110.63 1 7 -2 119 231.204 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 115? Alfa-Aesar
Melting_Point 115° Alfa-Aesar
Mp [°C] 116 - 120 Acros Organics
MP 116-118 °C(lit.) Indofine
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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