UCSF

ZINC34676929

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 Yes

Popular Name: (4-chlorophenyl)-[4-(4-methylpiperazin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin (4-chlorophenyl)-[4-(4-methylpip…

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) 2.96 14.02 -52.29 1 7 1 57 441.987 3 ↓
Mid Mid (pH 6-8) 2.96 14.38 -93.49 2 7 2 58 442.995 3 ↓
Mid Mid (pH 6-8) 2.96 11.65 -10.68 0 7 0 56 440.979 3 ↓

Activity (Go SEA)

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