UCSF

ZINC02556971

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: Boc-D-Ala-OMe Boc-D-Ala-OMe

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19914-38-6 , 28875-17-4 , 91103-47-8 , [19914-38-6] , [91103-47-8]

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) 3.12 1.01 -5.83 1 5 0 64 203.238 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 32 - 36 Acros Organics
Melting_Point 32-35? Alfa-Aesar
MP 34-37 °C(lit.) Indofine
Melting_Point 34-37? Alfa-Aesar
Purity 95% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics

Activity (Go SEA)

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