UCSF

ZINC02567955

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 3,5-Dinitrobenzyl alcohol 3,5-Dinitrobenzyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 71022-43-0 , 749875-07-8 , [71022-43-0]

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) 1.12 3.16 -9.14 1 7 0 112 198.134 3 ↓

Vendor Notes

Note Type Comments Provided By
M.P 88-91 °C Indofine
Melting_Point 88-91? Alfa-Aesar
Melting_Point 88-91° Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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

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