UCSF

ZINC20519225

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 30 No

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]b (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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) 2.94 5.44 -47.21 3 6 1 78 433.887 5 ↓
Mid Mid (pH 6-8) 2.94 3.11 -12.9 2 6 0 77 432.879 5 ↓
Mid Mid (pH 6-8) 2.94 5.9 -30.2 2 6 0 81 432.879 5 ↓
Mid Mid (pH 6-8) 2.94 3.57 -45.39 1 6 -1 80 431.871 5 ↓
Mid Mid (pH 6-8) 2.94 5.52 -46.24 3 6 1 78 433.887 5 ↓

Activity (Go SEA)

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