UCSF

ZINC43435556

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.99 2.25 -10.76 2 6 0 91 241.291 8
Mid Mid (pH 6-8) 0.99 3.23 -45.7 3 6 1 96 242.299 8

Activity (Go SEA)

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