UCSF

ZINC00895113

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 19 Yes

Popular Name: (2S,3S,4R,5S)-2-(6-Amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3S,4R,5S)-2-(6-Amino-9H-puri…

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CAS Numbers: 3080-29-3 , 58-61-7 , [3080-29-3]

Other Names:

adenosine

L-Adenosine

N/A

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 -11.18 -14.8 5 9 0 139 267.245 2 ↓
Lo Low (pH 4.5-6) -0.85 -11.04 -33.18 6 9 1 140 268.253 2 ↓
Lo Low (pH 4.5-6) -0.85 -11.05 -37.86 6 9 1 140 268.253 2 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antiarrhythmic, cardiac depressant SMDC MicroSource

Activity (Go SEA)

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