UCSF

ZINC00403367

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Popular Name: 1-Boc-indole 1-Boc-indole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 75400-67-8 , [75400-67-8]

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) 3.26 7.92 -7.59 0 3 0 31 217.268 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 113-114?/0.2mm Alfa-Aesar
Boiling_Point 113-114°/0.2mm Alfa-Aesar
Warnings IRRITANT, KEEP COLD Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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

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