UCSF

ZINC26145958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 Yes

Popular Name: fluoro-(4-methylpiperazin-1-yl)-oxo-BLAHcarboxylic fluoro-(4-methylpiperazin-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) 0.42 7.82 -105.44 1 7 0 83 364.402 2 ↓
Mid Mid (pH 6-8) 0.42 5.34 -68.77 0 7 -1 82 363.394 2 ↓

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Rings

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

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