UCSF

ZINC33783769

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 31 No

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) 3.83 9.58 -16.23 1 6 0 46 464.031 11
Mid Mid (pH 6-8) 3.83 11.85 -49.64 2 6 1 47 465.039 11

Activity (Go SEA)

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