UCSF

ZINC00370776

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 9-Dihydroxypropyladenine 9-Dihydroxypropyladenine

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CAS Number: 716-17-6

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) -0.97 -1.19 -16.13 4 7 0 110 209.209 3 ↓
Lo Low (pH 4.5-6) -0.97 -0.93 -38.71 5 7 1 111 210.217 3 ↓
Lo Low (pH 4.5-6) -0.97 -5.3 -37.36 5 7 1 111 210.217 3 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Antiviral agent ZereneX Building Blocks
mp 202 - 203 MolMall (formerly Molecular Diversity Preservation International)
biological_use Antiviral agent IBScreen Bioactives
mechanism S-Adenosyl-L-homocysteine ZereneX Building Blocks
mechanism S-Adenosyl-L-homocysteine hydrolase inhibitor IBScreen Bioactives

Activity (Go SEA)

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