UCSF

ZINC05598005

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 23 Yes

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) 2.73 10.99 -81.71 2 5 2 48 315.417 5
Hi High (pH 8-9.5) 2.73 8.35 -6.32 0 5 0 46 313.401 5
Mid Mid (pH 6-8) 2.73 10.57 -40.4 1 5 1 47 314.409 5
Mid Mid (pH 6-8) 2.73 8.77 -31.62 1 5 1 47 314.409 5

Activity (Go SEA)

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