UCSF

ZINC33787518

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 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) 2.18 -0.35 -50.25 1 10 -1 135 403.396 7
Mid Mid (pH 6-8) 2.18 -0.32 -17.85 2 10 0 133 404.404 7

Activity (Go SEA)

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