UCSF

ZINC23214285

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 26 Yes

Popular Name: [5-methyl-4-(4-methylpiperazin-1-yl)thieno[4,5-e]pyrimidin-6-yl]-[(3R)-3-methyl-1-piperidyl]methanon [5-methyl-4-(4-methylpiperazin-1…

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) 2.62 10.84 -45.15 1 6 1 54 374.534 2 ↓
Mid Mid (pH 6-8) 2.62 8.36 -7.73 0 6 0 53 373.526 2 ↓

Activity (Go SEA)

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