UCSF

ZINC62580025

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 31 Yes

Popular Name: 3-butyl-8-[[cyclopropyl-[(4-isopropylphenyl)methyl]amino]methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[[cyclopropyl-[(4-isop…

Find On: PubMed — Wikipedia — Google

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) 3.67 13.05 -47.94 2 7 1 77 424.569 9 ↓
Hi High (pH 8-9.5) 3.67 11 -8.06 1 7 0 76 423.561 9 ↓

Activity (Go SEA)

Rings

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

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