UCSF

ZINC08580514

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 19 Yes

Popular Name: Adenosine Adenosine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 24356-66-9 , 5536-17-4 , 58-61-7

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) -0.85 -10.54 -14.87 5 9 0 139 267.245 2 ↓
Lo Low (pH 4.5-6) -0.85 -10.4 -39.56 6 9 1 140 268.253 2 ↓
Lo Low (pH 4.5-6) -0.85 -10.4 -39.96 6 9 1 140 268.253 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 234-237? Alfa-Aesar
Melting_Point 234-237° Alfa-Aesar
PUBCHEM_PATENT_ID EP0297630A1; EP0335379A2; EP0335379B1; EP0363355A1; EP0423290A1; EP0517573A1; EP0553790A1; EP0553790B1; EP0672122A1; EP0673783A2; EP0673783A3; EP0673783B1; EP0743573A3; EP0743573B1; EP0743574A3; EP0743574B1; EP0878549A3; EP0934331A2; EP0954600A2; EP096668 IBM Patent Data

Activity (Go SEA)

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