UCSF

ZINC05066533

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 15 No

Download: MOL2 SDF SMILES Flexibase

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) 2.07 5.75 -12.53 1 3 0 38 206.22 2
Mid Mid (pH 6-8) 2.52 3.84 -6.14 1 3 0 38 206.22 2

Activity (Go SEA)

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