UCSF

ZINC07109193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 24 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) 2.84 6.62 -45.93 2 5 1 54 350.439 4
Hi High (pH 8-9.5) 2.84 4.39 -46.36 0 5 -1 55 348.423 4
Hi High (pH 8-9.5) 2.84 6.74 -66.92 1 5 0 56 349.431 4
Mid Mid (pH 6-8) 2.84 4.33 -9.9 1 5 0 53 349.431 4

Activity (Go SEA)

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