UCSF

ZINC33260813

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) 5.07 13.73 -49.58 1 7 -1 89 465.533 5
Mid Mid (pH 6-8) 5.07 10.72 -45.5 2 7 0 90 466.541 5
Mid Mid (pH 6-8) 5.14 11.49 -60.28 1 7 -1 92 465.533 5

Activity (Go SEA)

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