UCSF

ZINC02386872

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 20 Yes

Popular Name: BOC-D-3-Methylphe BOC-D-3-Methylphe

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114873-06-2 , 114873-14-2 , 82317-82-6

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) 2.94 0.67 -52.5 1 5 -1 78 278.328 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 135-138? Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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