UCSF

ZINC16491258

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 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) 2.72 8.35 -20.92 1 7 0 84 404.536 9
Mid Mid (pH 6-8) 2.72 8.86 -47.86 2 7 1 86 405.544 9

Activity (Go SEA)

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