UCSF

ZINC43710134

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) -0.05 3.83 -45.71 2 5 1 59 251.306 4
Hi High (pH 8-9.5) -0.05 2.89 -12.65 1 5 0 55 250.298 4

Activity (Go SEA)

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