UCSF

ZINC43435520

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) -0.07 4.13 -47.08 1 5 -1 78 202.23 7
Mid Mid (pH 6-8) -0.07 5.05 -34.73 2 5 0 83 203.238 7

Activity (Go SEA)

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