UCSF

ZINC46868903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 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) -0.64 3.64 -48.72 4 9 1 105 324.409 5
Mid Mid (pH 6-8) -0.64 1.46 -17.43 3 9 0 104 323.401 5

Activity (Go SEA)

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