UCSF

ZINC11534711

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2008 35 Yes

Popular Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-[2-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)e 3-(3-butyl-7-isobutyl-2,6-dioxo-…

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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) 2.68 -2.49 -20.36 2 10 0 119 479.585 11 ↓
Mid Mid (pH 6-8) 2.68 11.41 -52.1 3 10 1 120 480.593 11 ↓
Mid Mid (pH 6-8) 2.68 11.39 -42.35 3 10 1 120 480.593 11 ↓
Mid Mid (pH 6-8) 2.68 11.85 -88.58 4 10 2 122 481.601 11 ↓

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Rings

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

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