UCSF

ZINC34668200

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 Yes

Popular Name: [3-[[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone [3-[[4-(5-chloro-2-methoxy-pheny…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.20 10.84 -44.78 1 6 1 40 458.026 6 ↓
Mid Mid (pH 6-8) 3.20 8.61 -10.39 0 6 0 39 457.018 6 ↓
Mid Mid (pH 6-8) 3.20 13.05 -90.02 2 6 2 42 459.034 6 ↓
Mid Mid (pH 6-8) 3.20 10.84 -42.9 1 6 1 40 458.026 6 ↓

Activity (Go SEA)

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