UCSF

ZINC04848430

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 21 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) 2.67 5.62 -13.6 2 5 0 59 283.331 5
Mid Mid (pH 6-8) 2.67 6.12 -27.39 3 5 1 60 284.339 5

Activity (Go SEA)

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