UCSF

ZINC05826855

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2006 17 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) 2.13 6.74 -39.02 2 2 1 25 230.331 3
Mid Mid (pH 6-8) 2.13 4.47 -4.32 1 2 0 23 229.323 3

Activity (Go SEA)

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