UCSF

ZINC33260807

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2009 35 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) 5.30 13.59 -49.79 1 7 -1 89 485.951 5
Mid Mid (pH 6-8) 5.37 11.25 -54.15 1 7 -1 92 485.951 5
Mid Mid (pH 6-8) 5.30 10.56 -45.59 2 7 0 90 486.959 5

Activity (Go SEA)

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