UCSF

ZINC54418112

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 25 No

Popular Name: 1-methyl-6-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[methyl-[(1R)-1-(3-n…

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) 1.34 7.1 -15.12 1 9 0 113 342.359 5 ↓
Mid Mid (pH 6-8) 1.34 9.15 -65.98 2 9 1 114 343.367 5 ↓
Mid Mid (pH 6-8) 1.79 6.47 -51.59 1 9 0 117 342.359 5 ↓

Activity (Go SEA)

Rings

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

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