UCSF

ZINC52833642

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 Yes

Popular Name: 6-[[allyl(cyclopentyl)amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[allyl(cyclopentyl)amino]meth…

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) 1.94 4.65 -46.03 1 6 0 71 287.367 5 ↓
Mid Mid (pH 6-8) 1.49 5.64 -10.08 1 6 0 67 287.367 5 ↓
Mid Mid (pH 6-8) 1.49 8.07 -49.58 2 6 1 68 288.375 5 ↓

Activity (Go SEA)

Rings

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

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