UCSF

ZINC43307818

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 32 No

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) 4.87 10.82 -105.54 7 6 2 105 454.744 19
Mid Mid (pH 6-8) 4.87 10.52 -50.32 6 6 1 103 453.736 19

Activity (Go SEA)

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