UCSF

ZINC71603294

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 17 No

Popular Name: [[2H-benzotriazol-4-yl(methyl)amino]-methoxymethylidene]-dimethylammonium; fluoro-dioxido-oxophosphorane [[2H-benzotriazol-4-yl(methyl)am…

Find On: PubMed — Wikipedia — Google

CAS Number: 94790-37-1

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) -2.74 3.27 -30.2 1 6 1 57 234.283 3 ↓
Hi High (pH 8-9.5) -2.74 3.58 -37.48 0 6 0 55 233.275 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0802922A1; US5712397; US5922878; WO1995023810A1; WO2000001730A1 IBM Patent Data

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

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