UCSF

ZINC05789912

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 25 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) 2.42 -2.83 -20.85 2 5 0 96 359.495 3
Mid Mid (pH 6-8) 2.79 -4.27 -13.87 2 5 0 96 359.495 3

Activity (Go SEA)

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