UCSF

ZINC39267667

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 33 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) 5.11 11.75 -16.55 4 8 0 105 446.555 7
Mid Mid (pH 6-8) 5.11 12.36 -30.66 5 8 1 107 447.563 7
Mid Mid (pH 6-8) 5.11 11.35 -30.05 5 8 1 107 447.563 7

Activity (Go SEA)

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