UCSF

ZINC58343513

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 25 Yes

Popular Name: 3,4-difluoro-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]benzamide 3,4-difluoro-N-[[2-(4-methylpipe…

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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) 1.83 8.42 -43.56 2 5 1 50 347.389 4 ↓
Hi High (pH 8-9.5) 1.83 6.07 -11.14 1 5 0 48 346.381 4 ↓
Mid Mid (pH 6-8) 1.83 8.89 -107.13 3 5 2 51 348.397 4 ↓
Mid Mid (pH 6-8) 1.83 6.55 -45.2 2 5 1 50 347.389 4 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.