UCSF

ZINC39753578

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 4.46 13.33 -12.55 0 7 0 67 475.618 8
Mid Mid (pH 6-8) 4.46 15.53 -51.27 1 7 1 69 476.626 8

Activity (Go SEA)

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