UCSF

ZINC39267558

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 31 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) 3.44 12.06 -48.96 5 8 1 101 426.589 8
Mid Mid (pH 6-8) 3.44 12.43 -81.36 6 8 2 102 427.597 8

Activity (Go SEA)

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