UCSF

ZINC57995865

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 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) 2.07 5.02 -15.77 2 8 0 94 380.404 6
Mid Mid (pH 6-8) 2.07 5.51 -38.78 3 8 1 96 381.412 6

Activity (Go SEA)

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