UCSF

ZINC00717631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

Popular Name: 7-[3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-[3-(1,3-dimethyl-2,6-dioxo-1,2…

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Other Names:

MFCD01314002

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) -0.83 -1.23 -19.71 1 13 0 143 416.398 4 ↓
Mid Mid (pH 6-8) -0.83 -0.94 -56.3 2 13 1 145 417.406 4 ↓
Mid Mid (pH 6-8) -0.83 -0.94 -55.61 2 13 1 145 417.406 4 ↓
Mid Mid (pH 6-8) -0.83 -0.66 -107.98 3 13 2 146 418.414 4 ↓

Activity (Go SEA)

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