UCSF

ZINC09708621

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 23 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) 0.89 0.65 -12.12 0 9 0 100 320.305 5
Mid Mid (pH 6-8) 0.89 1.55 -37.74 1 9 1 102 321.313 5

Activity (Go SEA)

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