UCSF

ZINC49516006

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 18 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) -0.08 4.55 -41.83 2 5 1 54 252.338 3
Mid Mid (pH 6-8) -0.08 2.32 -7.89 1 5 0 53 251.33 3

Activity (Go SEA)

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