UCSF

ZINC41528123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 Yes

Popular Name: 1H-Pyrazolo[4,3-d]pyrimidine, 3-methyl-7-[4-(phenylmethyl)-1-piperazinyl]- 1H-Pyrazolo[4,3-d]pyrimidine, 3-…

Find On: PubMed — Wikipedia — Google

CAS Number: 1205179-43-6

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) 1.76 6.15 -6.04 1 6 0 61 308.389 3 ↓
Mid Mid (pH 6-8) 1.76 7.08 -9.65 1 6 0 61 308.389 3 ↓

Activity (Go SEA)

Rings

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

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