UCSF

ZINC31946937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 0.22 6.77 -66.68 2 6 1 72 321.426 4
Mid Mid (pH 6-8) 0.22 5.4 -22.54 1 6 0 67 320.418 4

Activity (Go SEA)

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