UCSF

ZINC15916335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 18 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19844-93-0 , [19844-93-0]

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) 0.58 5.04 -11.58 2 6 0 84 242.238 2 ↓
Mid Mid (pH 6-8) 0.58 5.53 -54.24 3 6 1 85 243.246 2 ↓
Mid Mid (pH 6-8) 1.03 3.66 -35.99 1 6 -1 87 241.23 2 ↓

Activity (Go SEA)

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