UCSF

ZINC02560932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 29 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) -0.75 4.04 -105.2 10 10 2 180 404.471 9
Mid Mid (pH 6-8) -0.75 3.77 -63.37 9 10 1 178 403.463 9

Activity (Go SEA)

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