UCSF

ZINC33260556

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2009 24 Yes

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) 3.22 8.24 -52.34 1 6 -1 85 328.392 6
Mid Mid (pH 6-8) 3.22 8.5 -44.15 2 6 0 87 329.4 6

Activity (Go SEA)

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