UCSF

ZINC06547797

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 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) 0.94 2.83 -46.92 2 7 1 76 348.452 5
Mid Mid (pH 6-8) 0.94 0.48 -12.73 1 7 0 74 347.444 5

Activity (Go SEA)

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