UCSF

ZINC41070257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 29 Yes

Popular Name: (4-ethylpiperazin-1-yl)-[4-[(2,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]phenyl]methanone (4-ethylpiperazin-1-yl)-[4-[(2,3…

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) 1.75 9.6 -49.95 2 8 1 80 394.503 4 ↓
Mid Mid (pH 6-8) 1.75 7.39 -15.3 1 8 0 79 393.495 4 ↓

Activity (Go SEA)

Rings

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

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