UCSF

ZINC03118440

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 17 Yes

Popular Name: 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 8-[(2-hydroxyethyl)amino]-1,3-di…

Find On: PubMed — Wikipedia — Google

CAS Number: 7654-01-5

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) -0.46 1.12 -11.17 3 8 0 105 239.235 3 ↓
Mid Mid (pH 6-8) -0.46 1.6 -38.75 4 8 1 106 240.243 3 ↓

Activity (Go SEA)

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