UCSF

ZINC65567771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 24 No

Popular Name: 1-methyl-N-[3-(thiomorpholinomethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine 1-methyl-N-[3-(thiomorpholinomet…

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) 2.37 10.93 -49.8 2 6 1 60 341.464 4 ↓
Mid Mid (pH 6-8) 2.37 8.82 -9.76 1 6 0 59 340.456 4 ↓

Activity (Go SEA)

Rings

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

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