UCSF

ZINC21035216

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 30 Yes

Popular Name: [2-(4-ethylpiperazin-1-yl)-4-methyl-pyrimidin-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone [2-(4-ethylpiperazin-1-yl)-4-met…

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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) 2.16 9.44 -43.64 1 7 1 57 413.521 4 ↓
Mid Mid (pH 6-8) 2.16 7.07 -9.04 0 7 0 56 412.513 4 ↓

Activity (Go SEA)

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