UCSF

ZINC20122660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 3.87 5.97 -39.48 3 3 1 46 324.242 2
Mid Mid (pH 6-8) 3.87 5.03 -4.83 2 3 0 41 323.234 2

Activity (Go SEA)

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