UCSF

ZINC52863866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: 6-[[allyl-[(2-fluorophenyl)methyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[allyl-[(2-fluorophenyl)methy…

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) 1.60 8.86 -53.22 2 6 1 68 328.371 6 ↓
Mid Mid (pH 6-8) 2.06 6.16 -50.23 1 6 0 71 327.363 6 ↓
Mid Mid (pH 6-8) 1.60 6.69 -12.81 1 6 0 67 327.363 6 ↓

Activity (Go SEA)

Rings

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

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