UCSF

ZINC34753109

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 31 No

Popular Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-1-ethyl-8-isopropyl-6-thioxo-7H-purin-2-one 3-[[3-(cyclopentoxy)-4-methoxy-p…

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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) 3.55 12.95 -12.61 1 7 0 74 442.585 7 ↓
Mid Mid (pH 6-8) 3.55 13.42 -47.58 2 7 1 75 443.593 7 ↓

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

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