UCSF

ZINC43968025

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 35 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) -3.98 11.48 -183.24 2 13 -3 209 502.541 23
Mid Mid (pH 6-8) -3.98 15.36 -180.27 2 13 -3 213 502.541 23

Activity (Go SEA)

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