UCSF

ZINC08730031

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 12 Yes

Popular Name: (5-bromo-1H-indol-2-yl)methanol (5-bromo-1H-indol-2-yl)methanol

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CAS Numbers: 17512-61-7 , 53590-48-0 , [53590-48-0]

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) 2.52 -3.27 -7.11 2 2 0 36 226.073 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 104 - 108 KeyOrganics
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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