UCSF

ZINC34677806

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 38 Yes

Popular Name: [4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxy-3-morpholino-propyl]piperazin-1-yl]methyl]o [4-(2-ethylphenyl)piperazin-1-yl…

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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) 1.52 4.56 -49.32 2 10 1 90 527.69 9 ↓
Mid Mid (pH 6-8) 1.52 6.85 -102.11 3 10 2 91 528.698 9 ↓
Mid Mid (pH 6-8) 1.52 2.29 -10.02 1 10 0 89 526.682 9 ↓

Activity (Go SEA)

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