UCSF

ZINC20918263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 Yes

Popular Name: 2-[(2S)-4-[(2-chloro-4-fluoro-phenyl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-2-yl]ethanol 2-[(2S)-4-[(2-chloro-4-fluoro-ph…

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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) 2.31 6.24 -34.59 2 4 1 41 378.899 6 ↓
Mid Mid (pH 6-8) 2.31 6.39 -46.47 2 4 1 41 378.899 6 ↓
Mid Mid (pH 6-8) 2.31 4.29 -31.68 2 4 1 41 378.899 6 ↓
Mid Mid (pH 6-8) 2.31 4.01 -9.66 1 4 0 40 377.891 6 ↓
Mid Mid (pH 6-8) 2.31 6.68 -96.68 3 4 2 42 379.907 6 ↓

Activity (Go SEA)

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