UCSF

ZINC49000588

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 20 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) -0.48 6.71 -22.01 0 6 0 95 275.356 9
Mid Mid (pH 6-8) -0.48 8.47 -69.25 1 6 1 96 276.364 9

Activity (Go SEA)

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