UCSF

ZINC42186946

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 0.55 -0.64 -47.54 3 4 1 71 234.341 2
Mid Mid (pH 6-8) 0.55 -1.57 -10.63 2 4 0 66 233.333 2

Activity (Go SEA)

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