UCSF

ZINC62933444

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 Yes

Popular Name: (3R)-3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-methylpyrazol…

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) 0.30 7.73 -42.29 1 7 0 88 261.285 2 ↓
Mid Mid (pH 6-8) 0.30 6.97 -47.12 0 7 -1 87 260.277 2 ↓

Activity (Go SEA)

Rings

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

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