UCSF

ZINC43417537

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 0.15 0.58 -48.52 4 4 1 60 202.322 7
Mid Mid (pH 6-8) 0.15 1.54 -37.41 4 4 1 60 202.322 7

Activity (Go SEA)

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