UCSF

ZINC13672149

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 Yes

Popular Name: 9-ethyl-8-phenethyloxy-purin-6-amine 9-ethyl-8-phenethyloxy-purin-6-a…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.86 6.43 -8 2 6 0 79 283.335 5 ↓
Lo Low (pH 4.5-6) 2.86 6.68 -32.89 3 6 1 80 284.343 5 ↓
Lo Low (pH 4.5-6) 2.86 2.31 -27.62 3 6 1 80 284.343 5 ↓

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

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