UCSF

ZINC33819087

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 5.15 12.88 -41.46 1 9 1 96 483.52 8
Mid Mid (pH 6-8) 5.15 13.54 -91.74 2 9 2 97 484.528 8
Mid Mid (pH 6-8) 5.15 11.78 -22.1 0 9 0 95 482.512 8
Mid Mid (pH 6-8) 5.15 12.44 -59.12 1 9 1 96 483.52 8

Activity (Go SEA)

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