UCSF

ZINC04962653

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 12 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) -0.52 3.72 -107.38 0 4 -2 80 166.132 2

Activity (Go SEA)

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