UCSF

ZINC43417365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) -0.02 0.83 -46.75 4 4 1 60 216.349 7
Mid Mid (pH 6-8) -0.02 1.61 -32.34 4 4 1 60 216.349 7

Activity (Go SEA)

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