UCSF

ZINC33605587

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 24 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) 2.60 5.26 -51.15 3 5 1 65 330.404 5
Mid Mid (pH 6-8) 2.60 4.08 -10.83 2 5 0 60 329.396 5

Activity (Go SEA)

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