UCSF

ZINC38482247

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 13 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) 0.11 2.78 -44.19 3 2 1 41 197.258 1
Mid Mid (pH 6-8) 0.11 2.44 -3.78 2 2 0 39 196.25 1

Activity (Go SEA)

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