UCSF

ZINC09178023

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 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) 5.94 13.09 -59.39 0 6 -1 83 483.569 6
Mid Mid (pH 6-8) 6.38 13.1 -19.18 1 6 0 80 484.577 5

Activity (Go SEA)

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