UCSF

ZINC00052624

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 7-Benzyl-3-methyl-1H-purine-2,6(3H,7H)-dione 7-Benzyl-3-methyl-1H-purine-2,6(…

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CAS Numbers: 56025-86-6 , [56025-86-6]

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) 0.64 -0.7 -12.31 1 6 0 72 256.265 2 ↓
Mid Mid (pH 6-8) -2.90 -0.42 -51.14 2 6 1 74 257.273 2 ↓

Activity (Go SEA)

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