UCSF

ZINC04955156

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 20 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) 1.03 3.77 -51.1 1 5 -1 82 277.344 2
Mid Mid (pH 6-8) 0.45 -2.51 -40.75 2 5 1 77 279.36 2
Mid Mid (pH 6-8) 0.11 3.04 -12.2 2 5 0 75 278.352 2

Activity (Go SEA)

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