UCSF

ZINC26145965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 26 Yes

Popular Name: fluoro-methyl-(4-methylpiperazin-1-yl)-oxo-BLAHcarboxylic fluoro-methyl-(4-methylpiperazin…

Find On: PubMed — Wikipedia — Google

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) 0.24 6.73 -107.48 1 8 0 92 362.361 2 ↓
Mid Mid (pH 6-8) 0.24 4.25 -70.44 0 8 -1 91 361.353 2 ↓

Activity (Go SEA)

Rings

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