UCSF

ZINC20992701

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 Yes

Popular Name: 2-(4,6-dimethyl-3-pyrrol-1-yl-pyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetam 2-(4,6-dimethyl-3-pyrrol-1-yl-py…

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) 1.44 8.59 -51.36 2 8 1 72 396.519 6 ↓
Mid Mid (pH 6-8) 1.44 8.47 -52.11 2 8 1 72 396.519 6 ↓
Mid Mid (pH 6-8) 1.44 6.12 -19.7 1 8 0 71 395.511 6 ↓

Activity (Go SEA)

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