UCSF

ZINC05319055

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 20 Yes

Other Names:

3'-O-Methyl-Adenosine

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) -1.19 -2.23 -12.48 4 9 0 129 281.272 3
Lo Low (pH 4.5-6) -1.19 -1.97 -35.53 5 9 1 130 282.28 3
Lo Low (pH 4.5-6) -1.19 -6.38 -33.09 5 9 1 130 282.28 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0540693A1; EP0540693B1; US5418149; WO1992001814A2; WO2000058329A1 IBM Patent Data

Activity (Go SEA)

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