UCSF

ZINC34560433

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 No

Popular Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-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) 3.57 8.21 -50.47 1 7 -1 88 413.523 6 ↓
Mid Mid (pH 6-8) 3.57 8.94 -52.42 2 7 0 89 414.531 6 ↓

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

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