UCSF

ZINC33819086

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.54 14.46 -88.36 2 9 2 97 515.01 9
Mid Mid (pH 6-8) 5.54 12.7 -21.82 0 9 0 95 512.994 9
Mid Mid (pH 6-8) 5.54 13.8 -40.79 1 9 1 96 514.002 9
Mid Mid (pH 6-8) 5.54 13.36 -56.24 1 9 1 96 514.002 9

Activity (Go SEA)

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