UCSF

ZINC04719682

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 25 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) 4.42 9.33 -10.9 1 5 0 48 359.857 5
Mid Mid (pH 6-8) 4.42 9.72 -29.08 2 5 1 49 360.865 5

Activity (Go SEA)

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