UCSF

ZINC34676693

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 Yes

Popular Name: [2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-thienyl [2-(4-methylpiperazin-1-yl)-4-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) 2.65 13.05 -45.28 1 7 1 57 413.571 3 ↓
Mid Mid (pH 6-8) 2.65 13.25 -101.55 2 7 2 58 414.579 3 ↓
Mid Mid (pH 6-8) 2.65 10.7 -11.86 0 7 0 56 412.563 3 ↓

Activity (Go SEA)

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