UCSF

ZINC43433143

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.07 7.54 -33.75 2 4 0 60 290.407 7
Mid Mid (pH 6-8) 1.08 9.11 -54.07 2 4 0 57 290.407 7

Activity (Go SEA)

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